data_1c-1
_audit_creation_date               2023-12-18
_audit_creation_method
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C17 H25 N O2'
_chemical_formula_sum              'C17 H25 N O2'
_chemical_formula_weight           275.38
_chemical_absolute_configuration   ad
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             4
_space_group_name_H-M_alt          'P 1 21 1'
_space_group_name_Hall             'P 2yb'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z'

_cell_length_a                     6.0384(3)
_cell_length_b                     7.4549(4)
_cell_length_c                     17.5882(11)
_cell_angle_alpha                  90
_cell_angle_beta                   99.789(6)
_cell_angle_gamma                  90
_cell_volume                       780.22(8)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      7641
_cell_measurement_temperature      99.98(11)
_cell_measurement_theta_max        73.9850
_cell_measurement_theta_min        2.5730
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.596
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.75349
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.33c (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear light colourless'
_exptl_crystal_density_diffrn      1.172
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               300
_exptl_crystal_size_max            0.14
_exptl_crystal_size_mid            0.12
_exptl_crystal_size_min            0.11
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0232
_diffrn_reflns_av_unetI/netI       0.0154
_diffrn_reflns_Laue_measured_fraction_full  0.997
_diffrn_reflns_Laue_measured_fraction_max  0.984
_diffrn_reflns_limit_h_max         6
_diffrn_reflns_limit_h_min         -7
_diffrn_reflns_limit_k_max         6
_diffrn_reflns_limit_k_min         -9
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -21
_diffrn_reflns_number              7816
_diffrn_reflns_point_group_measured_fraction_full  0.828
_diffrn_reflns_point_group_measured_fraction_max  0.799
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           74.009
_diffrn_reflns_theta_min           2.549
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        99.98(11)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.997
_diffrn_measured_fraction_theta_max  0.984
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -24.00  26.00   0.50    0.50    --    0.00 -82.00   0.00  100
  2  ω    -26.00   3.00   0.50    0.50    --    0.00 -82.00 150.00   58
  3  ω    -40.00   3.00   0.50    0.50    --    0.00 -77.00  60.00   86
  4  ω     -8.00  25.00   0.50    0.50    --    0.00 -82.00 120.00   66
  5  ω    -31.00  31.00   0.50    0.50    --    0.00 -82.00 -90.00  124
  6  ω      7.00 105.00   0.50    0.50    --   95.80 -30.00 120.00  196
  7  ω      6.00  57.00   0.50    0.50    --   95.80 -61.00 -90.00  102
  8  ω    157.00 184.00   0.50    0.50    --   95.80   0.00 120.00   54
  9  ω     61.00 110.00   0.50    0.50    --   95.80 -30.00  30.00   98
 10  ω     14.00  57.00   0.50    0.50    --   95.80 -30.00  30.00   86
 11  ω     10.00  59.00   0.50    0.50    --   95.80 -82.00  30.00   98
 12  ω     63.00 120.00   0.50    0.50    --   95.80 -82.00  30.00  114
 13  ω     75.00 127.00   0.50    0.50    --   95.80 -82.00  90.00  104
 14  ω     30.00  69.00   0.50    0.50    --   95.80 -82.00-180.00   78
 15  ω      6.00  78.00   0.50    0.50    --   95.80 -61.00 -60.00  144
 16  ω     83.00 118.00   0.50    0.50    --   95.80 -82.00-180.00   70
 17  ω     31.00  66.00   0.50    0.50    --   95.80 -82.00  90.00   70
 18  ω      7.00  67.00   0.50    0.50    --   95.80 -82.00-120.00  120
 19  ω     79.00 122.00   0.50    0.50    --   95.80 -82.00-120.00   86
 20  ω     62.00 147.00   0.50    0.50    --   95.80   0.00 120.00  170
 21  ω     48.00 116.00   0.50    0.50    --   95.80 -82.00   0.00  136
 22  ω    121.00 146.00   0.50    0.50    --   95.80  77.00  90.00   50
 23  ω      7.00  41.00   0.50    0.50    --   95.80   0.00 120.00   68
 24  ω     12.00  39.00   0.50    0.50    --   32.00  58.00  69.65   54
 25  ω    -20.00  54.00   0.50    0.50    --   36.00 -41.00 143.08  148
 26  ω     15.00  41.00   0.50    0.50    --   40.00  72.00  89.58   52
 27  ω     29.00  61.00   0.50    0.50    --   52.00  73.00-177.65   64
 28  ω     35.00  61.00   0.50    0.50    --   60.00  71.00 104.29   52
 29  ω    122.00 149.00   0.50    0.50    --   60.00  74.00-119.55   54
 30  ω     35.00  66.50   0.50    0.50    --   60.00  73.00-150.77   63
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.2441845000
_diffrn_orient_matrix_UB_12        -0.0647239000
_diffrn_orient_matrix_UB_13        0.0241118000
_diffrn_orient_matrix_UB_21        -0.0097367000
_diffrn_orient_matrix_UB_22        0.0483217000
_diffrn_orient_matrix_UB_23        0.0845250000
_diffrn_orient_matrix_UB_31        -0.0855270000
_diffrn_orient_matrix_UB_32        -0.1902537000
_diffrn_orient_matrix_UB_33        0.0132346000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Cu K\a'
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'Rotating-anode X-ray tube'
_diffrn_source_type                'Rigaku (Cu) X-ray Source'
_reflns_Friedel_coverage           0.503
_reflns_Friedel_fraction_full      0.628
_reflns_Friedel_fraction_max       0.581
_reflns_number_gt                  2517
_reflns_number_total               2532
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_collection         'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_data_reduction          'CrysAlisPro 1.171.39.33c (Rigaku OD, 2017)'
_computing_molecular_graphics      'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max           0.195
_refine_diff_density_min           -0.123
_refine_diff_density_rms           0.028
_refine_ls_abs_structure_details
;
 Flack x determined using 835 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.08(9)
_refine_ls_extinction_coef         0.0182(13)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref     1.042
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       185
_refine_ls_number_reflns           2532
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0268
_refine_ls_R_factor_gt             0.0266
_refine_ls_restrained_S_all        1.042
_refine_ls_shift/su_max            0.002
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0349P)²+0.1517P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0675
_refine_ls_wR_factor_ref           0.0676
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B), C9(H9A,H9B), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B),
 C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6)
2.d Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C)
2.e Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 O1 O 0.9334(2) 0.24613(19) 0.25742(7) 0.0341(3) Uani 1 1 d . . . . .
 H1 H 0.904132 0.300026 0.214952 0.051 Uiso 1 1 calc R U . . .
 O2 O 0.73070(18) 0.45738(17) 0.13449(6) 0.0263(3) Uani 1 1 d . . . . .
 N1 N 0.5778(2) 0.62401(19) 0.21976(7) 0.0209(3) Uani 1 1 d . . . . .
 C1 C 0.7675(3) 0.1369(2) 0.36237(9) 0.0225(3) Uani 1 1 d . . . . .
 C2 C 0.5846(3) 0.1168(3) 0.40035(9) 0.0291(4) Uani 1 1 d . . . . .
 H2 H 0.455565 0.190059 0.386064 0.035 Uiso 1 1 calc R U . . .
 C3 C 0.5884(3) -0.0089(3) 0.45881(10) 0.0345(4) Uani 1 1 d . . . . .
 H3 H 0.462682 -0.020672 0.484410 0.041 Uiso 1 1 calc R U . . .
 C4 C 0.7756(3) -0.1174(3) 0.47988(10) 0.0327(4) Uani 1 1 d . . . . .
 H4 H 0.778213 -0.203726 0.519753 0.039 Uiso 1 1 calc R U . . .
 C5 C 0.9577(3) -0.0993(3) 0.44268(10) 0.0303(4) Uani 1 1 d . . . . .
 H5 H 1.085917 -0.173417 0.457048 0.036 Uiso 1 1 calc R U . . .
 C6 C 0.9549(3) 0.0272(3) 0.38406(10) 0.0259(4) Uani 1 1 d . . . . .
 H6 H 1.081247 0.038718 0.358774 0.031 Uiso 1 1 calc R U . . .
 C7 C 0.7601(3) 0.2786(2) 0.30072(9) 0.0220(3) Uani 1 1 d . . . . .
 H7 H 0.612200 0.270088 0.265310 0.026 Uiso 1 1 calc R U . . .
 C8 C 0.7808(3) 0.4661(2) 0.33670(9) 0.0242(4) Uani 1 1 d . . . . .
 H8A H 0.653292 0.486066 0.364385 0.029 Uiso 1 1 calc R U . . .
 H8B H 0.921131 0.472301 0.375025 0.029 Uiso 1 1 calc R U . . .
 C9 C 0.7832(3) 0.6149(3) 0.27743(9) 0.0257(4) Uani 1 1 d . . . . .
 H9A H 0.804951 0.731373 0.304741 0.031 Uiso 1 1 calc R U . . .
 H9B H 0.912887 0.596203 0.250664 0.031 Uiso 1 1 calc R U . . .
 C10 C 0.5739(3) 0.5508(2) 0.14961(9) 0.0201(3) Uani 1 1 d . . . . .
 C11 C 0.3741(3) 0.5943(2) 0.08802(9) 0.0222(3) Uani 1 1 d . . . . .
 H11A H 0.234122 0.562576 0.107144 0.027 Uiso 1 1 calc R U . . .
 H11B H 0.381389 0.520590 0.041690 0.027 Uiso 1 1 calc R U . . .
 C12 C 0.3664(3) 0.7945(2) 0.06543(9) 0.0214(3) Uani 1 1 d . . . . .
 H12A H 0.522324 0.834575 0.064694 0.026 Uiso 1 1 calc R U . . .
 H12B H 0.282920 0.804913 0.012065 0.026 Uiso 1 1 calc R U . . .
 C13 C 0.2603(2) 0.9252(2) 0.11644(9) 0.0215(3) Uani 1 1 d . . . . .
 C14 C 0.3925(3) 0.7331(2) 0.23888(9) 0.0250(4) Uani 1 1 d . . . . .
 H14A H 0.412727 0.747677 0.295593 0.030 Uiso 1 1 calc R U . . .
 H14B H 0.249304 0.668430 0.222189 0.030 Uiso 1 1 calc R U . . .
 C15 C 0.3760(3) 0.9180(2) 0.20155(9) 0.0236(4) Uani 1 1 d . . . . .
 H15A H 0.529774 0.966965 0.205135 0.028 Uiso 1 1 calc R U . . .
 H15B H 0.292956 0.997847 0.231837 0.028 Uiso 1 1 calc R U . . .
 C16 C 0.0081(3) 0.8870(3) 0.11013(10) 0.0273(4) Uani 1 1 d . . . . .
 H16A H -0.065708 0.900587 0.056343 0.041 Uiso 1 1 calc R U . . .
 H16B H -0.057633 0.971894 0.142593 0.041 Uiso 1 1 calc R U . . .
 H16C H -0.013527 0.764306 0.127437 0.041 Uiso 1 1 calc R U . . .
 C17 C 0.2873(3) 1.1159(3) 0.08698(10) 0.0291(4) Uani 1 1 d . . . . .
 H17A H 0.447474 1.144822 0.092165 0.044 Uiso 1 1 calc R U . . .
 H17B H 0.214562 1.200979 0.117338 0.044 Uiso 1 1 calc R U . . .
 H17C H 0.217166 1.123815 0.032587 0.044 Uiso 1 1 calc R U . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 O1 H1 0.8400 . ?
 O1 C7 1.4162(19) . ?
 O2 C10 1.2398(19) . ?
 N1 C9 1.464(2) . ?
 N1 C10 1.346(2) . ?
 N1 C14 1.468(2) . ?
 C1 C2 1.392(2) . ?
 C1 C6 1.396(2) . ?
 C1 C7 1.509(2) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.388(3) . ?
 C3 H3 0.9500 . ?
 C3 C4 1.388(3) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.378(3) . ?
 C5 H5 0.9500 . ?
 C5 C6 1.395(3) . ?
 C6 H6 0.9500 . ?
 C7 H7 1.0000 . ?
 C7 C8 1.530(2) . ?
 C8 H8A 0.9900 . ?
 C8 H8B 0.9900 . ?
 C8 C9 1.524(2) . ?
 C9 H9A 0.9900 . ?
 C9 H9B 0.9900 . ?
 C10 C11 1.513(2) . ?
 C11 H11A 0.9900 . ?
 C11 H11B 0.9900 . ?
 C11 C12 1.543(2) . ?
 C12 H12A 0.9900 . ?
 C12 H12B 0.9900 . ?
 C12 C13 1.536(2) . ?
 C13 C15 1.541(2) . ?
 C13 C16 1.535(2) . ?
 C13 C17 1.531(2) . ?
 C14 H14A 0.9900 . ?
 C14 H14B 0.9900 . ?
 C14 C15 1.522(2) . ?
 C15 H15A 0.9900 . ?
 C15 H15B 0.9900 . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C16 H16C 0.9800 . ?
 C17 H17A 0.9800 . ?
 C17 H17B 0.9800 . ?
 C17 H17C 0.9800 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C7 O1 H1 109.5 . . ?
 C9 N1 C14 117.11(13) . . ?
 C10 N1 C9 119.79(13) . . ?
 C10 N1 C14 122.69(13) . . ?
 C2 C1 C6 118.56(16) . . ?
 C2 C1 C7 119.39(15) . . ?
 C6 C1 C7 122.03(14) . . ?
 C1 C2 H2 119.5 . . ?
 C3 C2 C1 120.91(17) . . ?
 C3 C2 H2 119.5 . . ?
 C2 C3 H3 120.0 . . ?
 C4 C3 C2 120.05(17) . . ?
 C4 C3 H3 120.0 . . ?
 C3 C4 H4 120.2 . . ?
 C5 C4 C3 119.69(17) . . ?
 C5 C4 H4 120.2 . . ?
 C4 C5 H5 119.8 . . ?
 C4 C5 C6 120.45(17) . . ?
 C6 C5 H5 119.8 . . ?
 C1 C6 H6 119.8 . . ?
 C5 C6 C1 120.35(16) . . ?
 C5 C6 H6 119.8 . . ?
 O1 C7 C1 109.40(13) . . ?
 O1 C7 H7 108.5 . . ?
 O1 C7 C8 111.25(14) . . ?
 C1 C7 H7 108.5 . . ?
 C1 C7 C8 110.61(12) . . ?
 C8 C7 H7 108.5 . . ?
 C7 C8 H8A 109.0 . . ?
 C7 C8 H8B 109.0 . . ?
 H8A C8 H8B 107.8 . . ?
 C9 C8 C7 113.06(13) . . ?
 C9 C8 H8A 109.0 . . ?
 C9 C8 H8B 109.0 . . ?
 N1 C9 C8 113.71(14) . . ?
 N1 C9 H9A 108.8 . . ?
 N1 C9 H9B 108.8 . . ?
 C8 C9 H9A 108.8 . . ?
 C8 C9 H9B 108.8 . . ?
 H9A C9 H9B 107.7 . . ?
 O2 C10 N1 122.00(14) . . ?
 O2 C10 C11 120.78(14) . . ?
 N1 C10 C11 117.16(14) . . ?
 C10 C11 H11A 109.2 . . ?
 C10 C11 H11B 109.2 . . ?
 C10 C11 C12 112.16(13) . . ?
 H11A C11 H11B 107.9 . . ?
 C12 C11 H11A 109.2 . . ?
 C12 C11 H11B 109.2 . . ?
 C11 C12 H12A 108.0 . . ?
 C11 C12 H12B 108.0 . . ?
 H12A C12 H12B 107.2 . . ?
 C13 C12 C11 117.40(13) . . ?
 C13 C12 H12A 108.0 . . ?
 C13 C12 H12B 108.0 . . ?
 C12 C13 C15 112.33(13) . . ?
 C16 C13 C12 110.34(14) . . ?
 C16 C13 C15 110.12(13) . . ?
 C17 C13 C12 108.18(13) . . ?
 C17 C13 C15 107.71(14) . . ?
 C17 C13 C16 108.00(14) . . ?
 N1 C14 H14A 108.9 . . ?
 N1 C14 H14B 108.9 . . ?
 N1 C14 C15 113.55(13) . . ?
 H14A C14 H14B 107.7 . . ?
 C15 C14 H14A 108.9 . . ?
 C15 C14 H14B 108.9 . . ?
 C13 C15 H15A 108.3 . . ?
 C13 C15 H15B 108.3 . . ?
 C14 C15 C13 115.85(14) . . ?
 C14 C15 H15A 108.3 . . ?
 C14 C15 H15B 108.3 . . ?
 H15A C15 H15B 107.4 . . ?
 C13 C16 H16A 109.5 . . ?
 C13 C16 H16B 109.5 . . ?
 C13 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 C13 C17 H17A 109.5 . . ?
 C13 C17 H17B 109.5 . . ?
 C13 C17 H17C 109.5 . . ?
 H17A C17 H17B 109.5 . . ?
 H17A C17 H17C 109.5 . . ?
 H17B C17 H17C 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 O1 C7 C8 C9 56.05(17) . . . . ?
 O2 C10 C11 C12 -111.03(17) . . . . ?
 N1 C10 C11 C12 66.13(18) . . . . ?
 N1 C14 C15 C13 80.21(17) . . . . ?
 C1 C2 C3 C4 -0.4(3) . . . . ?
 C1 C7 C8 C9 177.86(13) . . . . ?
 C2 C1 C6 C5 -0.1(2) . . . . ?
 C2 C1 C7 O1 -165.47(15) . . . . ?
 C2 C1 C7 C8 71.64(18) . . . . ?
 C2 C3 C4 C5 0.2(3) . . . . ?
 C3 C4 C5 C6 0.0(3) . . . . ?
 C4 C5 C6 C1 0.0(3) . . . . ?
 C6 C1 C2 C3 0.3(3) . . . . ?
 C6 C1 C7 O1 16.1(2) . . . . ?
 C6 C1 C7 C8 -106.82(17) . . . . ?
 C7 C1 C2 C3 -178.22(17) . . . . ?
 C7 C1 C6 C5 178.37(15) . . . . ?
 C7 C8 C9 N1 61.49(18) . . . . ?
 C9 N1 C10 O2 8.4(2) . . . . ?
 C9 N1 C10 C11 -168.77(14) . . . . ?
 C9 N1 C14 C15 100.18(16) . . . . ?
 C10 N1 C9 C8 -99.49(17) . . . . ?
 C10 N1 C14 C15 -72.4(2) . . . . ?
 C10 C11 C12 C13 -83.39(17) . . . . ?
 C11 C12 C13 C15 56.98(18) . . . . ?
 C11 C12 C13 C16 -66.31(18) . . . . ?
 C11 C12 C13 C17 175.74(13) . . . . ?
 C12 C13 C15 C14 -53.85(18) . . . . ?
 C14 N1 C9 C8 87.72(18) . . . . ?
 C14 N1 C10 O2 -179.27(15) . . . . ?
 C14 N1 C10 C11 3.6(2) . . . . ?
 C16 C13 C15 C14 69.57(18) . . . . ?
 C17 C13 C15 C14 -172.88(13) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  1.486
_oxdiff_exptl_absorpt_empirical_full_min  0.720
