data_exp_2909
_audit_creation_date               2022-12-01
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number       '2017/1'
_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           'C60 H34 O4'
_chemical_formula_sum              'C60 H34 O4'
_chemical_formula_weight           818.87
_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'
 '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        'orthorhombic'
_space_group_IT_number             60
_space_group_name_H-M_alt          'P b c n'
_space_group_name_Hall             '-P 2n 2ab'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y+1/2, z+1/2'
 '-x, y, -z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, -y, -z'
 'x-1/2, y-1/2, -z-1/2'
 'x, -y, z-1/2'
 '-x-1/2, y-1/2, z'

_cell_length_a                     26.961(2)
_cell_length_b                     10.4991(6)
_cell_length_c                     17.6666(12)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       5000.8(6)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      5650
_cell_measurement_temperature      173.00(10)
_cell_measurement_theta_max        67.1950
_cell_measurement_theta_min        3.2750
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      0.530
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.43339
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.32a (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 brown'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     light
_exptl_crystal_colour_primary      brown
_exptl_crystal_density_diffrn      1.088
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1704
_exptl_crystal_size_max            0.34
_exptl_crystal_size_mid            0.26
_exptl_crystal_size_min            0.18
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.1183
_diffrn_reflns_av_unetI/netI       0.0665
_diffrn_reflns_Laue_measured_fraction_full  0.994
_diffrn_reflns_Laue_measured_fraction_max  0.994
_diffrn_reflns_limit_h_max         32
_diffrn_reflns_limit_h_min         -28
_diffrn_reflns_limit_k_max         12
_diffrn_reflns_limit_k_min         -10
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -20
_diffrn_reflns_number              54189
_diffrn_reflns_point_group_measured_fraction_full  0.994
_diffrn_reflns_point_group_measured_fraction_max  0.994
_diffrn_reflns_theta_full          67.070
_diffrn_reflns_theta_max           67.070
_diffrn_reflns_theta_min           5.269
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        173.00(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.994
_diffrn_measured_fraction_theta_max  0.994
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     30.00  58.00   1.00    2.00    --    0.00  37.00 -90.00   28
  2  ω    -20.00   5.00   1.00    2.00    --    0.00 -37.00  60.00   25
  3  ω    -21.00   6.00   1.00    2.00    --    0.00  77.00  60.00   27
  4  ω     11.00  86.00   1.00    2.00    --    0.00  77.00 -90.00   75
  5  ω    -30.00   9.00   1.00    2.00    --    0.00  77.00 -90.00   39
  6  ω    -27.00  88.00   1.00    2.00    --    0.00  77.00  90.00  115
  7  ω    -17.00  11.00   1.00    2.00    --    0.00  37.00 -90.00   28
  8  ω     55.00  82.00   1.00    2.00    --    0.00  77.00  60.00   27
  9  ω     91.00 122.00   1.00    4.00    --   95.80 -82.00 -90.00   31
 10  ω      7.00 115.00   1.00    4.00    --   95.80 -30.00 -60.00  108
 11  ω     58.00 126.00   1.00    4.00    --   95.80 -82.00-150.00   68
 12  ω     52.00  93.00   1.00    4.00    --   95.80 -61.00-150.00   41
 13  ω     77.00 166.00   1.00    4.00    --   95.80  30.00-150.00   89
 14  ω     91.00 125.00   1.00    4.00    --   95.80 -82.00 120.00   34
 15  ω     54.00  81.00   1.00    4.00    --   95.80 -82.00 120.00   27
 16  ω     77.00 185.00   1.00    4.00    --   95.80  30.00 -90.00  108
 17  ω     90.00 122.00   1.00    4.00    --   95.80 -82.00 -60.00   32
 18  ω     66.00 107.00   1.00    4.00    --   95.80 -82.00   0.00   41
 19  ω     29.00  72.00   1.00    4.00    --   95.80 -82.00 -60.00   43
 20  ω     83.00 172.00   1.00    4.00    --   95.80  30.00-120.00   89
 21  ω     11.00 127.00   1.00    4.00    --   95.80 -82.00 -30.00  116
 22  ω     23.00  62.00   1.00    4.00    --   95.80 -82.00 150.00   39
 23  ω     82.00 110.00   1.00    4.00    --   95.80 -82.00 150.00   28
 24  ω     12.00  39.00   1.00    4.00    --   95.80 -82.00  60.00   27
 25  ω     50.00 126.00   1.00    4.00    --   95.80 -82.00  60.00   76
 26  ω     81.00 106.00   1.00    4.00    --   95.80 -82.00-120.00   25
 27  ω     21.00 127.00   1.00    4.00    --   95.80 -82.00  90.00  106
 28  ω      8.00 113.00   1.00    4.00    --   95.80 -45.00 -90.00  105
 29  ω     12.00 112.00   1.00    4.00    --   95.80 -45.00  90.00  100
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0418261000
_diffrn_orient_matrix_UB_12        0.0170536000
_diffrn_orient_matrix_UB_13        0.1211958000
_diffrn_orient_matrix_UB_21        0.0471950000
_diffrn_orient_matrix_UB_22        -0.0365217000
_diffrn_orient_matrix_UB_23        0.0799715000
_diffrn_orient_matrix_UB_31        0.0602829000
_diffrn_orient_matrix_UB_32        0.0404193000
_diffrn_orient_matrix_UB_33        0.0217294000
_diffrn_radiation_monochromator    graphite
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'fine-focus sealed X-ray tube'
_diffrn_source_type                'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3529
_reflns_number_total               4447
_reflns_odcompleteness_completeness  99.94
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       66.97
_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 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_collection         'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_data_reduction          'CrysAlisPro 1.171.39.32a (Rigaku OD, 2017)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'ShelXL (Sheldrick, 2015)'
_computing_structure_solution      'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max           0.596
_refine_diff_density_min           -0.472
_refine_diff_density_rms           0.102
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     0.984
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       289
_refine_ls_number_reflns           4447
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.1876
_refine_ls_R_factor_gt             0.1698
_refine_ls_restrained_S_all        0.984
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0399P)²+45.9549P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.3389
_refine_ls_wR_factor_ref           0.3476
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C7(H7), C11(H11), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C22(H22), C25(H25), C26(H26), C27(H27), C29(H29),
  C30(H30)
;
_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 0.6759(4) 1.4361(8) 0.5914(5) 0.143(4) Uani 1 1 d . . . . .
 O2 O 0.7392(2) 1.9510(6) 0.8334(4) 0.091(2) Uani 1 1 d . . . . .
 C1 C 0.5599(2) 1.5005(6) 0.8889(3) 0.0402(14) Uani 1 1 d . . . . .
 C2 C 0.5377(3) 1.4125(6) 0.9428(3) 0.0440(15) Uani 1 1 d . . . . .
 H2 H 0.503387 1.411276 0.948655 0.053 Uiso 1 1 calc R . . . .
 C3 C 0.5662(3) 1.3315(6) 0.9851(3) 0.0471(16) Uani 1 1 d . . . . .
 H3 H 0.551355 1.276910 1.019828 0.057 Uiso 1 1 calc R . . . .
 C4 C 0.6187(3) 1.3309(8) 0.9758(4) 0.063(2) Uani 1 1 d . . . . .
 H4 H 0.637852 1.277141 1.005724 0.076 Uiso 1 1 calc R . . . .
 C5 C 0.6412(3) 1.4072(7) 0.9242(4) 0.058(2) Uani 1 1 d . . . . .
 H5 H 0.675377 1.401159 0.917648 0.070 Uiso 1 1 calc R . . . .
 C6 C 0.6141(2) 1.4958(6) 0.8802(3) 0.0374(13) Uani 1 1 d . . . . .
 C7 C 0.6367(3) 1.5762(5) 0.8276(3) 0.0412(14) Uani 1 1 d . . . . .
 H7 H 0.670944 1.575340 0.821872 0.049 Uiso 1 1 calc R . . . .
 C8 C 0.6077(2) 1.6579(6) 0.7836(3) 0.0386(14) Uani 1 1 d . . . . .
 C9 C 0.6324(2) 1.7367(6) 0.7253(3) 0.0424(15) Uani 1 1 d . . . . .
 C10 C 0.6046(2) 1.8200(5) 0.6849(3) 0.0304(12) Uani 1 1 d . . . . .
 C11 C 0.6290(2) 1.8985(6) 0.6273(3) 0.0453(15) Uani 1 1 d . . . . .
 H11 H 0.662620 1.886916 0.617499 0.054 Uiso 1 1 calc R . . . .
 C12 C 0.6033(2) 1.9878(6) 0.5881(3) 0.0414(14) Uani 1 1 d . . . . .
 C13 C 0.6275(3) 2.0630(7) 0.5312(4) 0.0575(19) Uani 1 1 d . . . . .
 H13 H 0.660778 2.049913 0.519687 0.069 Uiso 1 1 calc R . . . .
 C14 C 0.5995(3) 2.1581(7) 0.4926(3) 0.058(2) Uani 1 1 d . . . . .
 H14 H 0.614900 2.210068 0.457127 0.069 Uiso 1 1 calc R . . . .
 C15 C 0.5511(3) 2.1732(6) 0.5072(3) 0.0464(16) Uani 1 1 d . . . . .
 H15 H 0.534078 2.237839 0.482286 0.056 Uiso 1 1 calc R . . . .
 C16 C 0.5254(3) 2.0976(6) 0.5571(3) 0.0473(16) Uani 1 1 d . . . . .
 H16 H 0.491412 2.108636 0.562832 0.057 Uiso 1 1 calc R . . . .
 C17 C 0.5507(2) 2.0011(6) 0.6010(3) 0.0387(14) Uani 1 1 d . . . . .
 C18 C 0.5270(2) 1.9232(5) 0.6517(3) 0.0319(12) Uani 1 1 d . . . . .
 H18 H 0.492964 1.931428 0.658153 0.038 Uiso 1 1 calc R . . . .
 C19 C 0.5529(2) 1.8307(5) 0.6945(3) 0.0281(12) Uani 1 1 d . . . . .
 C20 C 0.52714(19) 1.7507(5) 0.7471(3) 0.0300(12) Uani 1 1 d . . . . .
 C21 C 0.55493(19) 1.6645(5) 0.7926(3) 0.0293(12) Uani 1 1 d . . . . .
 C22 C 0.5330(2) 1.5836(5) 0.8452(3) 0.0346(13) Uani 1 1 d . . . . .
 H22 H 0.498685 1.585870 0.850961 0.042 Uiso 1 1 calc R . . . .
 C23 C 0.6867(3) 1.7122(7) 0.7112(4) 0.0570(19) Uani 1 1 d . . . . .
 C24 C 0.7035(3) 1.6194(7) 0.6614(4) 0.0577(19) Uani 1 1 d . . . . .
 C25 C 0.7492(3) 1.5942(9) 0.6471(4) 0.071(2) Uani 1 1 d . . . . .
 H25 H 0.757520 1.526629 0.615551 0.086 Uiso 1 1 calc R . . . .
 C26 C 0.7860(4) 1.6688(10) 0.6793(6) 0.094(4) Uani 1 1 d . . . . .
 H26 H 0.819151 1.655569 0.667202 0.113 Uiso 1 1 calc R . . . .
 C27 C 0.7714(3) 1.7709(7) 0.7337(5) 0.068(2) Uani 1 1 d . . . . .
 H27 H 0.794662 1.822204 0.757824 0.081 Uiso 1 1 calc R . . . .
 C28 C 0.7222(3) 1.7837(8) 0.7455(4) 0.0553(18) Uani 1 1 d . . . . .
 C29 C 0.6636(4) 1.5284(8) 0.6263(4) 0.072(2) Uani 1 1 d . . . . .
 H29 H 0.630124 1.546379 0.632561 0.086 Uiso 1 1 calc R . . . .
 C30 C 0.7070(3) 1.8909(7) 0.8012(5) 0.064(2) Uani 1 1 d . . . . .
 H30 H 0.673673 1.909017 0.809781 0.076 Uiso 1 1 calc R . . . .


_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 C29 1.196(10) . ?
 O2 C30 1.216(8) . ?
 C1 C2 1.457(9) . ?
 C1 C6 1.468(8) . ?
 C1 C22 1.374(8) . ?
 C2 H2 0.9300 . ?
 C2 C3 1.368(9) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.424(10) . ?
 C4 H4 0.9300 . ?
 C4 C5 1.357(10) . ?
 C5 H5 0.9300 . ?
 C5 C6 1.416(9) . ?
 C6 C7 1.396(8) . ?
 C7 H7 0.9300 . ?
 C7 C8 1.396(8) . ?
 C8 C9 1.479(8) . ?
 C8 C21 1.434(8) . ?
 C9 C10 1.355(8) . ?
 C9 C23 1.508(10) . ?
 C10 C11 1.466(8) . ?
 C10 C19 1.408(8) . ?
 C11 H11 0.9300 . ?
 C11 C12 1.357(9) . ?
 C12 C13 1.437(8) . ?
 C12 C17 1.441(9) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.425(10) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.338(10) . ?
 C15 H15 0.9300 . ?
 C15 C16 1.374(9) . ?
 C16 H16 0.9300 . ?
 C16 C17 1.446(8) . ?
 C17 C18 1.371(8) . ?
 C18 H18 0.9300 . ?
 C18 C19 1.416(8) . ?
 C19 C20 1.432(7) . ?
 C20 C20 1.467(10) 3_656 ?
 C20 C21 1.424(7) . ?
 C21 C22 1.391(8) . ?
 C22 H22 0.9300 . ?
 C23 C24 1.387(10) . ?
 C23 C28 1.360(10) . ?
 C24 C25 1.286(10) . ?
 C24 C29 1.567(12) . ?
 C25 H25 0.9300 . ?
 C25 C26 1.385(14) . ?
 C26 H26 0.9300 . ?
 C26 C27 1.492(13) . ?
 C27 H27 0.9300 . ?
 C27 C28 1.349(9) . ?
 C28 C30 1.550(11) . ?
 C29 H29 0.9300 . ?
 C30 H30 0.9300 . ?

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
 C2 C1 C6 117.2(5) . . ?
 C22 C1 C2 123.5(6) . . ?
 C22 C1 C6 119.3(5) . . ?
 C1 C2 H2 119.4 . . ?
 C3 C2 C1 121.3(6) . . ?
 C3 C2 H2 119.4 . . ?
 C2 C3 H3 120.0 . . ?
 C2 C3 C4 119.9(6) . . ?
 C4 C3 H3 120.0 . . ?
 C3 C4 H4 119.3 . . ?
 C5 C4 C3 121.3(7) . . ?
 C5 C4 H4 119.3 . . ?
 C4 C5 H5 119.2 . . ?
 C4 C5 C6 121.6(7) . . ?
 C6 C5 H5 119.2 . . ?
 C5 C6 C1 118.6(6) . . ?
 C7 C6 C1 118.9(5) . . ?
 C7 C6 C5 122.5(6) . . ?
 C6 C7 H7 120.0 . . ?
 C6 C7 C8 119.9(6) . . ?
 C8 C7 H7 120.0 . . ?
 C7 C8 C9 118.7(5) . . ?
 C7 C8 C21 121.5(5) . . ?
 C21 C8 C9 119.8(5) . . ?
 C8 C9 C23 117.2(5) . . ?
 C10 C9 C8 118.6(5) . . ?
 C10 C9 C23 124.1(5) . . ?
 C9 C10 C11 118.7(5) . . ?
 C9 C10 C19 122.4(5) . . ?
 C19 C10 C11 118.9(5) . . ?
 C10 C11 H11 119.6 . . ?
 C12 C11 C10 120.8(6) . . ?
 C12 C11 H11 119.6 . . ?
 C11 C12 C13 120.3(6) . . ?
 C11 C12 C17 119.4(6) . . ?
 C13 C12 C17 120.3(6) . . ?
 C12 C13 H13 120.7 . . ?
 C14 C13 C12 118.6(7) . . ?
 C14 C13 H13 120.7 . . ?
 C13 C14 H14 119.7 . . ?
 C15 C14 C13 120.5(6) . . ?
 C15 C14 H14 119.7 . . ?
 C14 C15 H15 118.5 . . ?
 C14 C15 C16 123.1(6) . . ?
 C16 C15 H15 118.5 . . ?
 C15 C16 H16 119.6 . . ?
 C15 C16 C17 120.8(7) . . ?
 C17 C16 H16 119.6 . . ?
 C12 C17 C16 116.6(6) . . ?
 C18 C17 C12 120.2(5) . . ?
 C18 C17 C16 123.3(6) . . ?
 C17 C18 H18 119.0 . . ?
 C17 C18 C19 122.0(5) . . ?
 C19 C18 H18 119.0 . . ?
 C10 C19 C18 118.6(5) . . ?
 C10 C19 C20 120.8(5) . . ?
 C18 C19 C20 120.6(5) . . ?
 C19 C20 C20 122.0(5) . 3_656 ?
 C21 C20 C19 118.9(5) . . ?
 C21 C20 C20 119.1(5) . 3_656 ?
 C20 C21 C8 119.4(5) . . ?
 C22 C21 C8 117.9(5) . . ?
 C22 C21 C20 122.8(5) . . ?
 C1 C22 C21 122.5(5) . . ?
 C1 C22 H22 118.7 . . ?
 C21 C22 H22 118.7 . . ?
 C24 C23 C9 122.8(7) . . ?
 C28 C23 C9 121.0(7) . . ?
 C28 C23 C24 116.2(8) . . ?
 C23 C24 C29 117.1(7) . . ?
 C25 C24 C23 125.6(9) . . ?
 C25 C24 C29 117.0(8) . . ?
 C24 C25 H25 120.4 . . ?
 C24 C25 C26 119.3(9) . . ?
 C26 C25 H25 120.4 . . ?
 C25 C26 H26 120.6 . . ?
 C25 C26 C27 118.8(8) . . ?
 C27 C26 H26 120.6 . . ?
 C26 C27 H27 122.3 . . ?
 C28 C27 C26 115.5(8) . . ?
 C28 C27 H27 122.3 . . ?
 C23 C28 C30 119.9(7) . . ?
 C27 C28 C23 124.6(8) . . ?
 C27 C28 C30 115.6(7) . . ?
 O1 C29 C24 120.6(10) . . ?
 O1 C29 H29 119.7 . . ?
 C24 C29 H29 119.7 . . ?
 O2 C30 C28 119.0(7) . . ?
 O2 C30 H30 120.5 . . ?
 C28 C30 H30 120.5 . . ?

_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  1.869
_oxdiff_exptl_absorpt_empirical_full_min  0.544
