data_20210722-libs-hjp-2968
_audit_creation_date               2021-07-22
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_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           'C20 H25 N O S Si'
_chemical_formula_sum              'C20 H25 N O S Si'
_chemical_formula_weight           355.56
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C20 H25 N O S Si'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 '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' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S' 'S' 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si' 'Si' 0.0817 0.0704 '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             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     7.7405(4)
_cell_length_b                     20.3269(14)
_cell_length_c                     12.9017(7)
_cell_angle_alpha                  90
_cell_angle_beta                   106.427(6)
_cell_angle_gamma                  90
_cell_volume                       1947.1(2)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      2109
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        27.7450
_cell_measurement_theta_min        3.7620
_shelx_estimated_absorpt_T_max     0.937
_shelx_estimated_absorpt_T_min     0.927
_exptl_absorpt_coefficient_mu      0.234
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.85660
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear red'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_primary      red
_exptl_crystal_density_diffrn      1.213
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               760
_exptl_crystal_size_max            0.33
_exptl_crystal_size_mid            0.32
_exptl_crystal_size_min            0.28
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0273
_diffrn_reflns_av_unetI/netI       0.0522
_diffrn_reflns_Laue_measured_fraction_full  0.998
_diffrn_reflns_Laue_measured_fraction_max  0.858
_diffrn_reflns_limit_h_max         8
_diffrn_reflns_limit_h_min         -10
_diffrn_reflns_limit_k_max         25
_diffrn_reflns_limit_k_min         -21
_diffrn_reflns_limit_l_max         16
_diffrn_reflns_limit_l_min         -13
_diffrn_reflns_number              8117
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.858
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           29.065
_diffrn_reflns_theta_min           3.398
_diffrn_ambient_temperature        293(2)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   16.0892
_diffrn_detector_type              Eos
_diffrn_measured_fraction_theta_full  0.998
_diffrn_measured_fraction_theta_max  0.858
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -48.00  21.00   1.00    4.00    --   18.74 -38.00  60.00   69
  2  ω     44.00  82.00   1.00    4.00    --   18.74 178.00 -30.00   38
  3  ω    -45.00  -4.00   1.00    4.00    --   18.74 -57.00   0.00   41
  4  ω    -95.00 -35.00   1.00    4.00    --  -18.97-178.00-150.00   60
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'SuperNova, Single source at offset/far, Eos'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        0.0333505000
_diffrn_orient_matrix_UB_12        -0.0124892000
_diffrn_orient_matrix_UB_13        0.0532412000
_diffrn_orient_matrix_UB_21        0.0551518000
_diffrn_orient_matrix_UB_22        0.0282490000
_diffrn_orient_matrix_UB_23        0.0149884000
_diffrn_orient_matrix_UB_31        -0.0705690000
_diffrn_orient_matrix_UB_32        0.0162401000
_diffrn_orient_matrix_UB_33        0.0149366000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'micro-focus sealed X-ray tube'
_diffrn_source_type                'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3087
_reflns_number_total               4467
_reflns_odcompleteness_completeness  99.73
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       26.32
_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 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection         'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction          'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.206
_refine_diff_density_min           -0.280
_refine_diff_density_rms           0.049
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.026
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       222
_refine_ls_number_reflns           4467
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0819
_refine_ls_R_factor_gt             0.0527
_refine_ls_restrained_S_all        1.026
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0470P)²+0.6516P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1131
_refine_ls_wR_factor_ref           0.1338
_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
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C14(H14A,H14B)
2.b Aromatic/amide H refined with riding coordinates:
 C8(H8), C12(H12), C19(H19), C17(H17), C11(H11), C18(H18)
2.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C6(H6A,H6B,H6C), C4(H4A,H4B,H4C), C1(H1A,H1B,H1C), C5(H5A,
 H5B,H5C)
;
_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
 S1 S 0.85607(8) 0.75548(4) 0.67743(5) 0.0531(2) Uani 1 1 d . . . . .
 Si1 Si 0.40613(8) 0.57501(4) 0.27847(5) 0.04276(19) Uani 1 1 d . . . . .
 O1 O 0.33630(19) 0.63491(8) 0.34460(11) 0.0440(4) Uani 1 1 d . . . . .
 N1 N 0.3907(2) 0.65422(9) 0.62704(13) 0.0358(4) Uani 1 1 d . . . . .
 C9 C 0.5514(3) 0.68096(11) 0.61983(16) 0.0362(5) Uani 1 1 d . . . . .
 C10 C 0.6933(3) 0.70676(12) 0.70845(17) 0.0389(5) Uani 1 1 d . . . . .
 C7 C 0.3942(3) 0.64570(11) 0.45405(16) 0.0373(5) Uani 1 1 d . . . . .
 C20 C 0.2919(3) 0.63148(12) 0.52366(16) 0.0384(5) Uani 1 1 d . . . . .
 C8 C 0.5521(3) 0.67579(12) 0.51274(16) 0.0383(5) Uani 1 1 d . . . . .
 H8 H 0.643838 0.690215 0.484824 0.046 Uiso 1 1 calc R U . . .
 C13 C 0.7287(3) 0.69980(13) 0.81778(17) 0.0449(6) Uani 1 1 d . . . . .
 C16 C 0.3169(3) 0.64919(13) 0.71413(18) 0.0441(6) Uani 1 1 d . . . . .
 C15 C 0.4087(3) 0.68158(14) 0.81893(18) 0.0528(6) Uani 1 1 d . . . . .
 H15A H 0.342613 0.670894 0.870319 0.063 Uiso 1 1 calc R U . . .
 H15B H 0.401129 0.728835 0.808069 0.063 Uiso 1 1 calc R U . . .
 C12 C 0.8882(3) 0.73408(14) 0.8754(2) 0.0541(7) Uani 1 1 d . . . . .
 H12 H 0.930611 0.734897 0.950410 0.065 Uiso 1 1 calc R U . . .
 C19 C 0.1254(3) 0.60056(14) 0.5096(2) 0.0521(6) Uani 1 1 d . . . . .
 H19 H 0.060686 0.585360 0.441782 0.063 Uiso 1 1 calc R U . . .
 C2 C 0.2782(4) 0.59114(13) 0.13431(19) 0.0513(6) Uani 1 1 d . . . . .
 C14 C 0.6064(3) 0.66349(14) 0.86950(18) 0.0549(7) Uani 1 1 d . . . . .
 H14A H 0.639777 0.673650 0.946066 0.066 Uiso 1 1 calc R U . . .
 H14B H 0.621710 0.616546 0.861884 0.066 Uiso 1 1 calc R U . . .
 C17 C 0.1572(3) 0.61786(15) 0.6967(2) 0.0605(7) Uani 1 1 d . . . . .
 H17 H 0.109521 0.612504 0.754721 0.073 Uiso 1 1 calc R U . . .
 C11 C 0.9708(3) 0.76498(16) 0.8106(2) 0.0600(8) Uani 1 1 d . . . . .
 H11 H 1.077354 0.788653 0.835295 0.072 Uiso 1 1 calc R U . . .
 C18 C 0.0589(4) 0.59287(16) 0.5952(2) 0.0662(8) Uani 1 1 d . . . . .
 H18 H -0.050185 0.571390 0.587134 0.079 Uiso 1 1 calc R U . . .
 C3 C 0.3029(5) 0.66320(16) 0.1060(2) 0.0771(9) Uani 1 1 d . . . . .
 H3A H 0.256557 0.691491 0.151456 0.116 Uiso 1 1 calc R U . . .
 H3B H 0.238942 0.671104 0.031720 0.116 Uiso 1 1 calc R U . . .
 H3C H 0.428653 0.672098 0.117230 0.116 Uiso 1 1 calc R U . . .
 C6 C 0.3486(5) 0.49459(16) 0.3275(3) 0.0873(10) Uani 1 1 d . . . . .
 H6A H 0.411350 0.489783 0.402724 0.131 Uiso 1 1 calc R U . . .
 H6B H 0.383403 0.459830 0.287172 0.131 Uiso 1 1 calc R U . . .
 H6C H 0.221107 0.492482 0.317904 0.131 Uiso 1 1 calc R U . . .
 C4 C 0.0758(4) 0.57940(19) 0.1168(3) 0.0891(11) Uani 1 1 d . . . . .
 H4A H 0.055449 0.533851 0.129109 0.134 Uiso 1 1 calc R U . . .
 H4B H 0.011190 0.590926 0.043949 0.134 Uiso 1 1 calc R U . . .
 H4C H 0.034250 0.606095 0.166256 0.134 Uiso 1 1 calc R U . . .
 C1 C 0.3460(5) 0.54604(19) 0.0594(2) 0.0903(11) Uani 1 1 d . . . . .
 H1A H 0.470761 0.555055 0.067258 0.135 Uiso 1 1 calc R U . . .
 H1B H 0.277255 0.553768 -0.014153 0.135 Uiso 1 1 calc R U . . .
 H1C H 0.332401 0.500969 0.077892 0.135 Uiso 1 1 calc R U . . .
 C5 C 0.6528(4) 0.5811(2) 0.3022(3) 0.0926(12) Uani 1 1 d . . . . .
 H5A H 0.681981 0.622976 0.277094 0.139 Uiso 1 1 calc R U . . .
 H5B H 0.692695 0.546566 0.263627 0.139 Uiso 1 1 calc R U . . .
 H5C H 0.711813 0.576885 0.378053 0.139 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
 S1 C10 1.736(2) . ?
 S1 C11 1.708(3) . ?
 Si1 O1 1.6624(17) . ?
 Si1 C2 1.872(3) . ?
 Si1 C6 1.852(3) . ?
 Si1 C5 1.851(3) . ?
 O1 C7 1.373(2) . ?
 N1 C9 1.385(3) . ?
 N1 C20 1.415(3) . ?
 N1 C16 1.401(3) . ?
 C9 C10 1.441(3) . ?
 C9 C8 1.387(3) . ?
 C10 C13 1.366(3) . ?
 C7 C20 1.385(3) . ?
 C7 C8 1.385(3) . ?
 C20 C19 1.399(3) . ?
 C8 H8 0.9300 . ?
 C13 C12 1.429(3) . ?
 C13 C14 1.498(3) . ?
 C16 C15 1.491(3) . ?
 C16 C17 1.352(3) . ?
 C15 H15A 0.9700 . ?
 C15 H15B 0.9700 . ?
 C15 C14 1.529(4) . ?
 C12 H12 0.9300 . ?
 C12 C11 1.343(4) . ?
 C19 H19 0.9300 . ?
 C19 C18 1.352(3) . ?
 C2 C3 1.535(4) . ?
 C2 C4 1.537(4) . ?
 C2 C1 1.529(4) . ?
 C14 H14A 0.9700 . ?
 C14 H14B 0.9700 . ?
 C17 H17 0.9300 . ?
 C17 C18 1.410(4) . ?
 C11 H11 0.9300 . ?
 C18 H18 0.9300 . ?
 C3 H3A 0.9600 . ?
 C3 H3B 0.9600 . ?
 C3 H3C 0.9600 . ?
 C6 H6A 0.9600 . ?
 C6 H6B 0.9600 . ?
 C6 H6C 0.9600 . ?
 C4 H4A 0.9600 . ?
 C4 H4B 0.9600 . ?
 C4 H4C 0.9600 . ?
 C1 H1A 0.9600 . ?
 C1 H1B 0.9600 . ?
 C1 H1C 0.9600 . ?
 C5 H5A 0.9600 . ?
 C5 H5B 0.9600 . ?
 C5 H5C 0.9600 . ?

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
 C11 S1 C10 92.13(12) . . ?
 O1 Si1 C2 102.95(10) . . ?
 O1 Si1 C6 109.07(12) . . ?
 O1 Si1 C5 109.66(13) . . ?
 C6 Si1 C2 112.51(14) . . ?
 C5 Si1 C2 112.56(14) . . ?
 C5 Si1 C6 109.83(18) . . ?
 C7 O1 Si1 125.88(14) . . ?
 C9 N1 C20 108.76(16) . . ?
 C9 N1 C16 131.34(19) . . ?
 C16 N1 C20 119.86(18) . . ?
 N1 C9 C10 125.94(18) . . ?
 N1 C9 C8 107.07(18) . . ?
 C8 C9 C10 126.95(19) . . ?
 C9 C10 S1 117.67(16) . . ?
 C13 C10 S1 110.50(17) . . ?
 C13 C10 C9 131.8(2) . . ?
 O1 C7 C20 123.60(19) . . ?
 O1 C7 C8 127.86(19) . . ?
 C8 C7 C20 108.40(18) . . ?
 C7 C20 N1 106.69(18) . . ?
 C7 C20 C19 133.2(2) . . ?
 C19 C20 N1 120.10(19) . . ?
 C9 C8 H8 125.5 . . ?
 C7 C8 C9 109.07(18) . . ?
 C7 C8 H8 125.5 . . ?
 C10 C13 C12 112.2(2) . . ?
 C10 C13 C14 122.9(2) . . ?
 C12 C13 C14 124.8(2) . . ?
 N1 C16 C15 119.8(2) . . ?
 C17 C16 N1 117.5(2) . . ?
 C17 C16 C15 122.6(2) . . ?
 C16 C15 H15A 108.2 . . ?
 C16 C15 H15B 108.2 . . ?
 C16 C15 C14 116.3(2) . . ?
 H15A C15 H15B 107.4 . . ?
 C14 C15 H15A 108.2 . . ?
 C14 C15 H15B 108.2 . . ?
 C13 C12 H12 123.3 . . ?
 C11 C12 C13 113.4(2) . . ?
 C11 C12 H12 123.3 . . ?
 C20 C19 H19 120.1 . . ?
 C18 C19 C20 119.7(2) . . ?
 C18 C19 H19 120.1 . . ?
 C3 C2 Si1 109.68(19) . . ?
 C3 C2 C4 107.7(3) . . ?
 C4 C2 Si1 110.49(19) . . ?
 C1 C2 Si1 110.1(2) . . ?
 C1 C2 C3 109.5(2) . . ?
 C1 C2 C4 109.4(3) . . ?
 C13 C14 C15 111.9(2) . . ?
 C13 C14 H14A 109.2 . . ?
 C13 C14 H14B 109.2 . . ?
 C15 C14 H14A 109.2 . . ?
 C15 C14 H14B 109.2 . . ?
 H14A C14 H14B 107.9 . . ?
 C16 C17 H17 118.2 . . ?
 C16 C17 C18 123.5(2) . . ?
 C18 C17 H17 118.2 . . ?
 S1 C11 H11 124.2 . . ?
 C12 C11 S1 111.7(2) . . ?
 C12 C11 H11 124.2 . . ?
 C19 C18 C17 119.1(2) . . ?
 C19 C18 H18 120.4 . . ?
 C17 C18 H18 120.4 . . ?
 C2 C3 H3A 109.5 . . ?
 C2 C3 H3B 109.5 . . ?
 C2 C3 H3C 109.5 . . ?
 H3A C3 H3B 109.5 . . ?
 H3A C3 H3C 109.5 . . ?
 H3B C3 H3C 109.5 . . ?
 Si1 C6 H6A 109.5 . . ?
 Si1 C6 H6B 109.5 . . ?
 Si1 C6 H6C 109.5 . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 C2 C4 H4A 109.5 . . ?
 C2 C4 H4B 109.5 . . ?
 C2 C4 H4C 109.5 . . ?
 H4A C4 H4B 109.5 . . ?
 H4A C4 H4C 109.5 . . ?
 H4B C4 H4C 109.5 . . ?
 C2 C1 H1A 109.5 . . ?
 C2 C1 H1B 109.5 . . ?
 C2 C1 H1C 109.5 . . ?
 H1A C1 H1B 109.5 . . ?
 H1A C1 H1C 109.5 . . ?
 H1B C1 H1C 109.5 . . ?
 Si1 C5 H5A 109.5 . . ?
 Si1 C5 H5B 109.5 . . ?
 Si1 C5 H5C 109.5 . . ?
 H5A C5 H5B 109.5 . . ?
 H5A C5 H5C 109.5 . . ?
 H5B C5 H5C 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
 S1 C10 C13 C12 -0.1(3) . . . . ?
 S1 C10 C13 C14 176.5(2) . . . . ?
 Si1 O1 C7 C20 -105.8(2) . . . . ?
 Si1 O1 C7 C8 79.1(3) . . . . ?
 O1 Si1 C2 C3 51.4(2) . . . . ?
 O1 Si1 C2 C4 -67.1(2) . . . . ?
 O1 Si1 C2 C1 172.0(2) . . . . ?
 O1 C7 C20 N1 -175.4(2) . . . . ?
 O1 C7 C20 C19 5.7(4) . . . . ?
 O1 C7 C8 C9 175.6(2) . . . . ?
 N1 C9 C10 S1 -164.61(18) . . . . ?
 N1 C9 C10 C13 16.2(4) . . . . ?
 N1 C9 C8 C7 -0.5(3) . . . . ?
 N1 C20 C19 C18 0.4(4) . . . . ?
 N1 C16 C15 C14 -54.9(3) . . . . ?
 N1 C16 C17 C18 -2.8(4) . . . . ?
 C9 N1 C20 C7 -0.8(2) . . . . ?
 C9 N1 C20 C19 178.3(2) . . . . ?
 C9 N1 C16 C15 6.1(4) . . . . ?
 C9 N1 C16 C17 -177.7(2) . . . . ?
 C9 C10 C13 C12 179.2(2) . . . . ?
 C9 C10 C13 C14 -4.2(4) . . . . ?
 C10 S1 C11 C12 -1.3(2) . . . . ?
 C10 C9 C8 C7 177.3(2) . . . . ?
 C10 C13 C12 C11 -0.9(3) . . . . ?
 C10 C13 C14 C15 -44.7(3) . . . . ?
 C7 C20 C19 C18 179.2(3) . . . . ?
 C20 N1 C9 C10 -177.0(2) . . . . ?
 C20 N1 C9 C8 0.8(2) . . . . ?
 C20 N1 C16 C15 -171.3(2) . . . . ?
 C20 N1 C16 C17 4.8(3) . . . . ?
 C20 C7 C8 C9 0.0(3) . . . . ?
 C20 C19 C18 C17 1.7(4) . . . . ?
 C8 C9 C10 S1 18.0(3) . . . . ?
 C8 C9 C10 C13 -161.2(3) . . . . ?
 C8 C7 C20 N1 0.5(3) . . . . ?
 C8 C7 C20 C19 -178.4(3) . . . . ?
 C13 C12 C11 S1 1.4(3) . . . . ?
 C16 N1 C9 C10 5.3(4) . . . . ?
 C16 N1 C9 C8 -176.9(2) . . . . ?
 C16 N1 C20 C7 177.2(2) . . . . ?
 C16 N1 C20 C19 -3.7(3) . . . . ?
 C16 C15 C14 C13 79.4(3) . . . . ?
 C16 C17 C18 C19 -0.4(5) . . . . ?
 C15 C16 C17 C18 173.2(3) . . . . ?
 C12 C13 C14 C15 131.5(3) . . . . ?
 C2 Si1 O1 C7 -178.49(18) . . . . ?
 C14 C13 C12 C11 -177.4(2) . . . . ?
 C17 C16 C15 C14 129.1(3) . . . . ?
 C11 S1 C10 C9 -178.61(19) . . . . ?
 C11 S1 C10 C13 0.8(2) . . . . ?
 C6 Si1 O1 C7 61.8(2) . . . . ?
 C6 Si1 C2 C3 168.7(2) . . . . ?
 C6 Si1 C2 C4 50.2(3) . . . . ?
 C6 Si1 C2 C1 -70.7(3) . . . . ?
 C5 Si1 O1 C7 -58.5(2) . . . . ?
 C5 Si1 C2 C3 -66.6(2) . . . . ?
 C5 Si1 C2 C4 174.9(2) . . . . ?
 C5 Si1 C2 C1 54.0(3) . . . . ?


_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  1.253
_oxdiff_exptl_absorpt_empirical_full_min  0.760
