# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yql
_database_code_depnum_ccdc_archive 'CCDC 2142926'
loop_
_audit_author_name
_audit_author_address
'Qinglin Yao'
;South China University of Technology
China
;
_audit_update_record             
;
2022-01-18 deposited with the CCDC.	2022-03-23 downloaded from the CCDC.
;
_audit_creation_date             2022-01-01
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H20'
_chemical_formula_sum            'C30 H20'
_chemical_formula_weight         380.46
_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 0.0033 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'

_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                   14.7343(13)
_cell_length_b                   7.8467(5)
_cell_length_c                   18.5969(16)
_cell_angle_alpha                90
_cell_angle_beta                 107.975(9)
_cell_angle_gamma                90
_cell_volume                     2045.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3016
_cell_measurement_temperature    169.99(10)
_cell_measurement_theta_max      28.8650
_cell_measurement_theta_min      2.9740
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.070
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.71554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_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  0.0242
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9228
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.303
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      169.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      4.00  85.00   1.00    5.50    --   11.90  57.00  60.00   81
  2  ω    -51.00  70.00   1.00    5.50    --   11.90   0.00  30.00  121
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0444415000
_diffrn_orient_matrix_UB_12      -0.0041776000
_diffrn_orient_matrix_UB_13      -0.0289988000
_diffrn_orient_matrix_UB_21      -0.0230604000
_diffrn_orient_matrix_UB_22      0.0342933000
_diffrn_orient_matrix_UB_23      0.0250418000
_diffrn_orient_matrix_UB_31      0.0069678000
_diffrn_orient_matrix_UB_32      0.0836674000
_diffrn_orient_matrix_UB_33      -0.0118638000
_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                2849
_reflns_number_total             3606
_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 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_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 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.131
_refine_diff_density_min         -0.188
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3606
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0417
_refine_ls_restrained_S_all      1.034
_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)+(0.0429P)²+0.4092P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.1048
_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), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27),
  C28(H28), 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
C1 C 0.30500(10) 0.75820(17) 0.43871(8) 0.0238(3) Uani 1 1 d . . . . .
C2 C 0.29464(11) 0.66507(18) 0.49955(8) 0.0269(4) Uani 1 1 d . . . . .
H2 H 0.344877 0.598084 0.528213 0.032 Uiso 1 1 calc R U . . .
C3 C 0.21039(11) 0.67116(19) 0.51777(9) 0.0307(4) Uani 1 1 d . . . . .
H3 H 0.204527 0.608973 0.558683 0.037 Uiso 1 1 calc R U . . .
C4 C 0.13491(11) 0.76951(18) 0.47529(9) 0.0302(4) Uani 1 1 d . . . . .
H4 H 0.078575 0.774380 0.487865 0.036 Uiso 1 1 calc R U . . .
C5 C 0.14354(11) 0.86043(18) 0.41415(9) 0.0298(4) Uani 1 1 d . . . . .
H5 H 0.092665 0.925796 0.385283 0.036 Uiso 1 1 calc R U . . .
C6 C 0.22757(10) 0.85472(18) 0.39564(8) 0.0269(4) Uani 1 1 d . . . . .
H6 H 0.232532 0.915711 0.354136 0.032 Uiso 1 1 calc R U . . .
C7 C 0.39764(10) 0.76044(17) 0.42225(8) 0.0246(3) Uani 1 1 d . . . . .
C8 C 0.39991(10) 0.76998(17) 0.34338(8) 0.0240(3) Uani 1 1 d . . . . .
C9 C 0.47198(10) 0.85878(18) 0.32508(9) 0.0284(4) Uani 1 1 d . . . . .
H9 H 0.517158 0.919028 0.362504 0.034 Uiso 1 1 calc R U . . .
C10 C 0.47701(11) 0.85824(19) 0.25204(9) 0.0320(4) Uani 1 1 d . . . . .
H10 H 0.525249 0.918322 0.240671 0.038 Uiso 1 1 calc R U . . .
C11 C 0.41049(10) 0.76859(19) 0.19577(9) 0.0314(4) Uani 1 1 d . . . . .
H11 H 0.414793 0.766405 0.146930 0.038 Uiso 1 1 calc R U . . .
C12 C 0.33749(11) 0.68216(19) 0.21249(9) 0.0300(4) Uani 1 1 d . . . . .
H12 H 0.292096 0.623450 0.174618 0.036 Uiso 1 1 calc R U . . .
C13 C 0.33204(10) 0.68304(18) 0.28536(8) 0.0262(3) Uani 1 1 d . . . . .
H13 H 0.282639 0.625140 0.296038 0.031 Uiso 1 1 calc R U . . .
C14 C 0.47980(10) 0.75361(18) 0.48007(9) 0.0289(4) Uani 1 1 d . . . . .
C15 C 0.55521(10) 0.74676(19) 0.53463(9) 0.0287(4) Uani 1 1 d . . . . .
C16 C 0.63422(10) 0.74027(18) 0.59167(9) 0.0279(4) Uani 1 1 d . . . . .
C17 C 0.70950(10) 0.73610(17) 0.64647(8) 0.0263(3) Uani 1 1 d . . . . .
C18 C 0.79089(10) 0.73390(16) 0.70536(8) 0.0230(3) Uani 1 1 d . . . . .
C19 C 0.88364(10) 0.72461(17) 0.68973(8) 0.0225(3) Uani 1 1 d . . . . .
C20 C 0.96578(10) 0.80302(18) 0.73728(8) 0.0251(3) Uani 1 1 d . . . . .
H20 H 0.962740 0.861585 0.779950 0.030 Uiso 1 1 calc R U . . .
C21 C 1.05122(11) 0.79407(19) 0.72129(9) 0.0300(4) Uani 1 1 d . . . . .
H21 H 1.105326 0.845260 0.753795 0.036 Uiso 1 1 calc R U . . .
C22 C 1.05730(11) 0.7101(2) 0.65774(9) 0.0355(4) Uani 1 1 d . . . . .
H22 H 1.114956 0.705235 0.647164 0.043 Uiso 1 1 calc R U . . .
C23 C 0.97662(12) 0.6334(2) 0.60993(9) 0.0352(4) Uani 1 1 d . . . . .
H23 H 0.980055 0.577217 0.566820 0.042 Uiso 1 1 calc R U . . .
C24 C 0.89094(11) 0.63957(18) 0.62572(8) 0.0285(4) Uani 1 1 d . . . . .
H24 H 0.837463 0.586417 0.593323 0.034 Uiso 1 1 calc R U . . .
C25 C 0.78543(10) 0.73797(16) 0.78345(8) 0.0226(3) Uani 1 1 d . . . . .
C26 C 0.85585(10) 0.66181(18) 0.84373(8) 0.0261(3) Uani 1 1 d . . . . .
H26 H 0.910026 0.615958 0.835538 0.031 Uiso 1 1 calc R U . . .
C27 C 0.84562(11) 0.65418(19) 0.91494(9) 0.0318(4) Uani 1 1 d . . . . .
H27 H 0.892817 0.603112 0.954258 0.038 Uiso 1 1 calc R U . . .
C28 C 0.76546(12) 0.7222(2) 0.92828(9) 0.0367(4) Uani 1 1 d . . . . .
H28 H 0.758012 0.714872 0.976058 0.044 Uiso 1 1 calc R U . . .
C29 C 0.69675(12) 0.8008(2) 0.86982(9) 0.0363(4) Uani 1 1 d . . . . .
H29 H 0.643458 0.848694 0.878694 0.044 Uiso 1 1 calc R U . . .
C30 C 0.70632(10) 0.80919(19) 0.79853(9) 0.0303(4) Uani 1 1 d . . . . .
H30 H 0.659459 0.862980 0.759899 0.036 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
C1 C2 1.394(2) . ?
C1 C6 1.3975(19) . ?
C1 C7 1.488(2) . ?
C2 H2 0.9300 . ?
C2 C3 1.385(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(2) . ?
C4 H4 0.9300 . ?
C4 C5 1.381(2) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.479(2) . ?
C7 C14 1.3494(19) . ?
C8 C9 1.397(2) . ?
C8 C13 1.401(2) . ?
C9 H9 0.9300 . ?
C9 C10 1.383(2) . ?
C10 H10 0.9300 . ?
C10 C11 1.385(2) . ?
C11 H11 0.9300 . ?
C11 C12 1.386(2) . ?
C12 H12 0.9300 . ?
C12 C13 1.382(2) . ?
C13 H13 0.9300 . ?
C14 C15 1.254(2) . ?
C15 C16 1.312(2) . ?
C16 C17 1.2539(19) . ?
C17 C18 1.3517(19) . ?
C18 C19 1.484(2) . ?
C18 C25 1.479(2) . ?
C19 C20 1.4016(19) . ?
C19 C24 1.397(2) . ?
C20 H20 0.9300 . ?
C20 C21 1.382(2) . ?
C21 H21 0.9300 . ?
C21 C22 1.380(2) . ?
C22 H22 0.9300 . ?
C22 C23 1.383(2) . ?
C23 H23 0.9300 . ?
C23 C24 1.382(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.4044(19) . ?
C25 C30 1.397(2) . ?
C26 H26 0.9300 . ?
C26 C27 1.380(2) . ?
C27 H27 0.9300 . ?
C27 C28 1.386(2) . ?
C28 H28 0.9300 . ?
C28 C29 1.382(2) . ?
C29 H29 0.9300 . ?
C29 C30 1.377(2) . ?
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 118.34(14) . . ?
C2 C1 C7 120.67(13) . . ?
C6 C1 C7 120.94(13) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.76(14) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.18(14) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.75(15) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.31(14) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 H6 119.7 . . ?
C5 C6 C1 120.64(14) . . ?
C5 C6 H6 119.7 . . ?
C8 C7 C1 120.49(12) . . ?
C14 C7 C1 119.33(13) . . ?
C14 C7 C8 120.19(13) . . ?
C9 C8 C7 121.21(13) . . ?
C9 C8 C13 118.08(14) . . ?
C13 C8 C7 120.64(13) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 C8 120.85(14) . . ?
C10 C9 H9 119.6 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.25(14) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 H11 120.1 . . ?
C10 C11 C12 119.77(15) . . ?
C12 C11 H11 120.1 . . ?
C11 C12 H12 119.9 . . ?
C13 C12 C11 120.10(14) . . ?
C13 C12 H12 119.9 . . ?
C8 C13 H13 119.5 . . ?
C12 C13 C8 120.92(14) . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C7 178.91(17) . . ?
C14 C15 C16 179.76(19) . . ?
C17 C16 C15 179.20(17) . . ?
C16 C17 C18 179.20(16) . . ?
C17 C18 C19 118.84(13) . . ?
C17 C18 C25 119.45(13) . . ?
C25 C18 C19 121.70(12) . . ?
C20 C19 C18 121.53(13) . . ?
C24 C19 C18 120.52(13) . . ?
C24 C19 C20 117.94(14) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 C19 120.57(14) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.86(14) . . ?
C22 C21 H21 119.6 . . ?
C21 C22 H22 120.4 . . ?
C21 C22 C23 119.21(15) . . ?
C23 C22 H22 120.4 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.55(15) . . ?
C24 C23 H23 119.7 . . ?
C19 C24 H24 119.6 . . ?
C23 C24 C19 120.86(14) . . ?
C23 C24 H24 119.6 . . ?
C26 C25 C18 121.59(13) . . ?
C30 C25 C18 120.48(13) . . ?
C30 C25 C26 117.82(14) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.80(14) . . ?
C27 C26 H26 119.6 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.43(14) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 120.4 . . ?
C29 C28 C27 119.27(15) . . ?
C29 C28 H28 120.4 . . ?
C28 C29 H29 119.6 . . ?
C30 C29 C28 120.73(15) . . ?
C30 C29 H29 119.6 . . ?
C25 C30 H30 119.5 . . ?
C29 C30 C25 120.92(14) . . ?
C29 C30 H30 119.5 . . ?

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
C1 C2 C3 C4 0.4(2) . . . . ?
C1 C7 C8 C9 145.49(13) . . . . ?
C1 C7 C8 C13 -37.55(19) . . . . ?
C2 C1 C6 C5 1.4(2) . . . . ?
C2 C1 C7 C8 145.92(13) . . . . ?
C2 C1 C7 C14 -34.1(2) . . . . ?
C2 C3 C4 C5 0.6(2) . . . . ?
C3 C4 C5 C6 -0.6(2) . . . . ?
C4 C5 C6 C1 -0.5(2) . . . . ?
C6 C1 C2 C3 -1.4(2) . . . . ?
C6 C1 C7 C8 -36.75(19) . . . . ?
C6 C1 C7 C14 143.28(14) . . . . ?
C7 C1 C2 C3 176.00(13) . . . . ?
C7 C1 C6 C5 -175.95(13) . . . . ?
C7 C8 C9 C10 175.93(13) . . . . ?
C7 C8 C13 C12 -175.67(13) . . . . ?
C8 C9 C10 C11 -0.3(2) . . . . ?
C9 C8 C13 C12 1.4(2) . . . . ?
C9 C10 C11 C12 1.4(2) . . . . ?
C10 C11 C12 C13 -1.1(2) . . . . ?
C11 C12 C13 C8 -0.3(2) . . . . ?
C13 C8 C9 C10 -1.1(2) . . . . ?
C14 C7 C8 C9 -34.5(2) . . . . ?
C14 C7 C8 C13 142.43(14) . . . . ?
C17 C18 C19 C20 147.63(14) . . . . ?
C17 C18 C19 C24 -31.02(19) . . . . ?
C17 C18 C25 C26 150.68(14) . . . . ?
C17 C18 C25 C30 -25.30(19) . . . . ?
C18 C19 C20 C21 -179.42(13) . . . . ?
C18 C19 C24 C23 178.64(13) . . . . ?
C18 C25 C26 C27 -174.48(13) . . . . ?
C18 C25 C30 C29 174.49(13) . . . . ?
C19 C18 C25 C26 -28.32(19) . . . . ?
C19 C18 C25 C30 155.70(13) . . . . ?
C19 C20 C21 C22 1.0(2) . . . . ?
C20 C19 C24 C23 -0.1(2) . . . . ?
C20 C21 C22 C23 -0.4(2) . . . . ?
C21 C22 C23 C24 -0.4(2) . . . . ?
C22 C23 C24 C19 0.6(2) . . . . ?
C24 C19 C20 C21 -0.7(2) . . . . ?
C25 C18 C19 C20 -33.36(19) . . . . ?
C25 C18 C19 C24 147.98(13) . . . . ?
C25 C26 C27 C28 -0.1(2) . . . . ?
C26 C25 C30 C29 -1.6(2) . . . . ?
C26 C27 C28 C29 -1.3(2) . . . . ?
C27 C28 C29 C30 1.3(2) . . . . ?
C28 C29 C30 C25 0.2(2) . . . . ?
C30 C25 C26 C27 1.6(2) . . . . ?

_olex2_date_sample_data_collection 2022-01-01
_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 1.833
_oxdiff_exptl_absorpt_empirical_full_min 0.786
