# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_taiyuan_0802_2_auto
_database_code_depnum_ccdc_archive 'CCDC 2349726'
loop_
_audit_author_name
_audit_author_address
'Long Wang'
;Taiyuan
China
;
_audit_update_record             
;
2024-04-20 deposited with the CCDC.	2025-12-17 downloaded from the CCDC.
;
_audit_creation_date             2023-08-07
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C34 H30'
_chemical_formula_sum            'C34 H30'
_chemical_formula_weight         438.58
_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'

_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                   16.485(2)
_cell_length_b                   6.2347(7)
_cell_length_c                   12.1050(18)
_cell_angle_alpha                90
_cell_angle_beta                 99.627(13)
_cell_angle_gamma                90
_cell_volume                     1226.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2151
_cell_measurement_temperature    302.33(10)
_cell_measurement_theta_max      69.8590
_cell_measurement_theta_min      2.6950
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.502
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_unetI/netI     0.0410
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.940
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7656
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.940
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.247
_diffrn_reflns_theta_min         2.719
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      302.33(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -59.00 -26.00   1.50    2.00    -- -100.00  61.00  90.00   22
  2  ω    -70.00 -43.00   1.50    2.00    -- -100.00  61.00  60.00   18
  3  ω    -52.00 -26.50   1.50    2.00    -- -100.00  61.00 -30.00   17
  4  ω    -54.00 -28.50   1.50    2.00    -- -100.00  45.00 -30.00   17
  5  ω    -74.00 -27.50   1.50    2.00    -- -100.00  61.00-180.00   31
  6  ω    -53.00 -27.50   1.50    2.00    -- -100.00  45.00-180.00   17
  7  ω    -54.00 -25.50   1.50    2.00    -- -100.00  45.00  60.00   19
  8  ω    -54.00 -25.50   1.50    2.00    -- -100.00  45.00  90.00   19
  9  ω    -54.00 -25.50   1.50    2.00    -- -100.00  45.00 150.00   19
 10  ω    -31.00  38.00   1.50    0.50    --   44.30 -37.00  60.00   46
 11  ω     67.00  92.50   1.50    2.00    --  109.64 -77.00   0.00   17
 12  ω     36.00  63.00   1.50    2.00    --  109.64 -61.00 -90.00   18
 13  ω     37.00  68.50   1.50    2.00    --  109.64 -61.00-120.00   21
 14  ω     36.00  69.00   1.50    2.00    --  109.64 -61.00-180.00   22
 15  ω     36.00  69.00   1.50    2.00    --  109.64 -61.00-150.00   22
 16  ω    -32.00  31.00   1.50    0.50    --   44.30 -30.00-177.00   42
 17  ω    -30.00  -3.00   1.50    0.50    --   44.30 -19.00-150.00   18
 18  ω     42.00  67.50   1.50    2.00    --  109.64 -61.00 150.00   17
 19  ω     64.00 103.00   1.50    2.00    --  109.64 -94.00   0.00   26
 20  ω     91.00 118.00   1.50    2.00    --  109.64  61.00-120.00   18
 21  ω    125.00 174.50   1.50    2.00    --  109.64  61.00-120.00   33
 22  ω     93.00 126.00   1.50    2.00    --  109.64  30.00 -16.00   22
 23  ω     68.00 122.00   1.50    0.50    --   44.30  30.00 -16.00   36
 24  ω      8.00  33.50   1.50    0.50    --  -44.30  30.00 -16.00   17
 25  ω    -30.00  -3.00   1.50    0.50    --  -44.30  30.00 -16.00   18
 26  ω    -99.00 -57.00   1.50    0.50    --  -44.30 -30.00-177.00   28
 27  ω   -173.00 -81.50   1.50    2.00    -- -100.00 -30.00-177.00   61
 28  ω   -170.00-108.50   1.50    2.00    -- -100.00-125.00 -30.00   41
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0477044000
_diffrn_orient_matrix_UB_12      0.0113299000
_diffrn_orient_matrix_UB_13      0.0989846000
_diffrn_orient_matrix_UB_21      0.0771030000
_diffrn_orient_matrix_UB_22      0.0899846000
_diffrn_orient_matrix_UB_23      0.0754875000
_diffrn_orient_matrix_UB_31      -0.0276972000
_diffrn_orient_matrix_UB_32      0.2296871000
_diffrn_orient_matrix_UB_33      -0.0344390000
_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         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1674
_reflns_number_total             2415
_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 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.93a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.373
_refine_diff_density_min         -0.168
_refine_diff_density_rms         0.047
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2415
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.1033
_refine_ls_R_factor_gt           0.0798
_refine_ls_restrained_S_all      1.112
_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)+(0.1657P)²+0.1578P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2448
_refine_ls_wR_factor_ref         0.2706
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C17) \\sim Ueq, Uanis(C17') \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C15')
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C16') \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: C15(0.55) H15A(0.55) H15B(0.55) H15C(0.55) C15'(0.45) H15D(0.45)
 H15E(0.45) H15F(0.45) C16(0.55) H16A(0.55) H16B(0.55) H16C(0.55) C16'(0.45)
 H16D(0.45) H16E(0.45) H16F(0.45) C17(0.55) H17A(0.55) H17B(0.55) H17C(0.55)
 C17'(0.45) H17D(0.45) H17E(0.45) H17F(0.45)
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12)
4.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C15'(H15D,H15E,H15F), C16(H16A,H16B,H16C), C16'(H16D,
 H16E,H16F), C17(H17A,H17B,H17C), C17'(H17D,H17E,H17F)
;
_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 0.31092(17) 0.4467(4) 0.3398(2) 0.0631(7) Uani 1 1 d . . . . .
C2 C 0.23270(18) 0.4106(5) 0.2749(2) 0.0679(7) Uani 1 1 d . . . . .
H2 H 0.189934 0.505978 0.279042 0.082 Uiso 1 1 calc R U . . .
C3 C 0.21945(18) 0.2343(5) 0.2052(2) 0.0674(7) Uani 1 1 d . . . . .
C4 C 0.2869(2) 0.0971(5) 0.2008(3) 0.0771(8) Uani 1 1 d . . . . .
H4 H 0.279013 -0.021590 0.153643 0.092 Uiso 1 1 calc R U . . .
C5 C 0.3643(2) 0.1306(5) 0.2632(3) 0.0767(8) Uani 1 1 d . . . . .
H5 H 0.407600 0.038063 0.257062 0.092 Uiso 1 1 calc R U . . .
C6 C 0.37558(17) 0.3025(4) 0.3340(2) 0.0654(7) Uani 1 1 d . . . . .
C7 C 0.44919(17) 0.3792(4) 0.4156(2) 0.0635(7) Uani 1 1 d . . . . .
C8 C 0.42212(17) 0.5661(4) 0.4649(2) 0.0632(7) Uani 1 1 d . . . . .
C9 C 0.33882(17) 0.6143(4) 0.4210(2) 0.0659(7) Uani 1 1 d . . . . .
C10 C 0.30357(19) 0.7938(5) 0.4588(3) 0.0766(8) Uani 1 1 d . . . . .
H10 H 0.249561 0.831262 0.430073 0.092 Uiso 1 1 calc R U . . .
C11 C 0.3513(2) 0.9198(5) 0.5423(3) 0.0808(9) Uani 1 1 d . . . . .
H11 H 0.327077 1.040444 0.568210 0.097 Uiso 1 1 calc R U . . .
C12 C 0.4298(2) 0.8751(5) 0.5864(3) 0.0767(8) Uani 1 1 d . . . . .
H12 H 0.458190 0.963681 0.641489 0.092 Uiso 1 1 calc R U . . .
C13 C 0.46984(17) 0.6913(4) 0.5489(2) 0.0645(7) Uani 1 1 d . . . . .
C14 C 0.13555(18) 0.1856(5) 0.1346(3) 0.0728(8) Uani 1 1 d . . . . .
C15 C 0.0655(5) 0.3169(16) 0.1735(8) 0.102(2) Uani 0.55 1 d . U P A 1
H15A H 0.071180 0.465462 0.155482 0.153 Uiso 0.55 1 calc R U P A 1
H15B H 0.068613 0.301517 0.253029 0.153 Uiso 0.55 1 calc R U P A 1
H15C H 0.013217 0.264848 0.136092 0.153 Uiso 0.55 1 calc R U P A 1
C15' C 0.0736(8) 0.153(4) 0.2039(12) 0.155(5) Uani 0.45 1 d . U P A 2
H15D H 0.059760 0.288089 0.234009 0.232 Uiso 0.45 1 calc R U P A 2
H15E H 0.094291 0.057350 0.264199 0.232 Uiso 0.45 1 calc R U P A 2
H15F H 0.025340 0.091836 0.159697 0.232 Uiso 0.45 1 calc R U P A 2
C16 C 0.1133(6) -0.0453(14) 0.1582(12) 0.132(4) Uani 0.55 1 d . U P A 1
H16A H 0.061698 -0.081725 0.112708 0.198 Uiso 0.55 1 calc R U P A 1
H16B H 0.108723 -0.059830 0.235926 0.198 Uiso 0.55 1 calc R U P A 1
H16C H 0.155393 -0.139880 0.140984 0.198 Uiso 0.55 1 calc R U P A 1
C16' C 0.1332(7) -0.0241(17) 0.0651(11) 0.115(3) Uani 0.45 1 d . U P A 2
H16D H 0.077279 -0.057569 0.033649 0.172 Uiso 0.45 1 calc R U P A 2
H16E H 0.156239 -0.139441 0.112898 0.172 Uiso 0.45 1 calc R U P A 2
H16F H 0.164687 -0.005170 0.005916 0.172 Uiso 0.45 1 calc R U P A 2
C17 C 0.1374(7) 0.231(3) 0.0179(8) 0.138(4) Uani 0.55 1 d . U P A 1
H17A H 0.109096 0.119772 -0.027824 0.206 Uiso 0.55 1 calc R U P A 1
H17B H 0.193416 0.238503 0.006021 0.206 Uiso 0.55 1 calc R U P A 1
H17C H 0.110734 0.366218 -0.001861 0.206 Uiso 0.55 1 calc R U P A 1
C17' C 0.1175(10) 0.355(2) 0.0445(14) 0.147(6) Uani 0.45 1 d . U P A 2
H17D H 0.165313 0.376485 0.010196 0.220 Uiso 0.45 1 calc R U P A 2
H17E H 0.103213 0.486917 0.077197 0.220 Uiso 0.45 1 calc R U P A 2
H17F H 0.072445 0.308575 -0.011221 0.220 Uiso 0.45 1 calc R U P A 2


_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 1.411(4) . ?
C1 C6 1.405(4) . ?
C1 C9 1.456(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.381(4) . ?
C3 C4 1.411(5) . ?
C3 C14 1.529(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.386(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.366(4) . ?
C6 C7 1.508(4) . ?
C7 C8 1.415(4) . ?
C7 C13 1.403(4) 3_666 ?
C8 C9 1.419(4) . ?
C8 C13 1.413(4) . ?
C9 C10 1.374(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.411(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.344(5) . ?
C12 H12 0.9300 . ?
C12 C13 1.434(4) . ?
C14 C15 1.552(9) . ?
C14 C15' 1.441(12) . ?
C14 C16 1.525(8) . ?
C14 C16' 1.552(10) . ?
C14 C17 1.446(10) . ?
C14 C17' 1.511(13) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15' H15D 0.9600 . ?
C15' H15E 0.9600 . ?
C15' H15F 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16' H16D 0.9600 . ?
C16' H16E 0.9600 . ?
C16' H16F 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17' H17D 0.9600 . ?
C17' H17E 0.9600 . ?
C17' H17F 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
C2 C1 C9 130.3(3) . . ?
C6 C1 C2 120.0(3) . . ?
C6 C1 C9 109.6(2) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.2(3) . . ?
C3 C2 H2 119.9 . . ?
C2 C3 C4 117.4(3) . . ?
C2 C3 C14 122.4(3) . . ?
C4 C3 C14 120.2(3) . . ?
C3 C4 H4 118.4 . . ?
C5 C4 C3 123.2(3) . . ?
C5 C4 H4 118.4 . . ?
C4 C5 H5 120.8 . . ?
C6 C5 C4 118.5(3) . . ?
C6 C5 H5 120.8 . . ?
C1 C6 C7 107.4(2) . . ?
C5 C6 C1 120.6(3) . . ?
C5 C6 C7 132.0(3) . . ?
C8 C7 C6 105.1(2) . . ?
C13 C7 C6 136.2(2) 3_666 . ?
C13 C7 C8 118.7(2) 3_666 . ?
C7 C8 C9 111.8(3) . . ?
C13 C8 C7 125.6(3) . . ?
C13 C8 C9 122.7(3) . . ?
C8 C9 C1 106.1(2) . . ?
C10 C9 C1 134.9(3) . . ?
C10 C9 C8 119.0(3) . . ?
C9 C10 H10 120.8 . . ?
C9 C10 C11 118.4(3) . . ?
C11 C10 H10 120.8 . . ?
C10 C11 H11 118.2 . . ?
C12 C11 C10 123.6(3) . . ?
C12 C11 H11 118.2 . . ?
C11 C12 H12 119.9 . . ?
C11 C12 C13 120.3(3) . . ?
C13 C12 H12 119.9 . . ?
C7 C13 C8 115.8(2) 3_666 . ?
C7 C13 C12 128.2(3) 3_666 . ?
C8 C13 C12 116.0(3) . . ?
C3 C14 C15 112.1(4) . . ?
C3 C14 C16' 114.1(4) . . ?
C15' C14 C3 111.5(6) . . ?
C15' C14 C16' 103.9(9) . . ?
C15' C14 C17' 116.5(11) . . ?
C16 C14 C3 107.8(4) . . ?
C16 C14 C15 103.1(6) . . ?
C17 C14 C3 110.0(5) . . ?
C17 C14 C15 109.3(7) . . ?
C17 C14 C16 114.5(8) . . ?
C17' C14 C3 108.4(6) . . ?
C17' C14 C16' 102.3(8) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C15' H15D 109.5 . . ?
C14 C15' H15E 109.5 . . ?
C14 C15' H15F 109.5 . . ?
H15D C15' H15E 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C16' H16D 109.5 . . ?
C14 C16' H16E 109.5 . . ?
C14 C16' H16F 109.5 . . ?
H16D C16' H16E 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14 C17' H17D 109.5 . . ?
C14 C17' H17E 109.5 . . ?
C14 C17' H17F 109.5 . . ?
H17D C17' H17E 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 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
C1 C2 C3 C4 -1.0(4) . . . . ?
C1 C2 C3 C14 178.9(3) . . . . ?
C1 C6 C7 C8 0.2(3) . . . . ?
C1 C6 C7 C13 178.6(3) . . . 3_666 ?
C1 C9 C10 C11 179.0(3) . . . . ?
C2 C1 C6 C5 2.1(4) . . . . ?
C2 C1 C6 C7 -177.7(2) . . . . ?
C2 C1 C9 C8 177.1(3) . . . . ?
C2 C1 C9 C10 -3.6(5) . . . . ?
C2 C3 C4 C5 0.6(5) . . . . ?
C2 C3 C14 C15 -14.9(6) . . . . ?
C2 C3 C14 C15' -60.7(11) . . . . ?
C2 C3 C14 C16 -127.7(7) . . . . ?
C2 C3 C14 C16' -178.1(6) . . . . ?
C2 C3 C14 C17 106.8(7) . . . . ?
C2 C3 C14 C17' 68.7(8) . . . . ?
C3 C4 C5 C6 1.2(5) . . . . ?
C4 C3 C14 C15 165.0(5) . . . . ?
C4 C3 C14 C15' 119.2(10) . . . . ?
C4 C3 C14 C16 52.3(7) . . . . ?
C4 C3 C14 C16' 1.9(7) . . . . ?
C4 C3 C14 C17 -73.2(7) . . . . ?
C4 C3 C14 C17' -111.4(8) . . . . ?
C4 C5 C6 C1 -2.5(5) . . . . ?
C4 C5 C6 C7 177.3(3) . . . . ?
C5 C6 C7 C8 -179.6(3) . . . . ?
C5 C6 C7 C13 -1.2(6) . . . 3_666 ?
C6 C1 C2 C3 -0.2(4) . . . . ?
C6 C1 C9 C8 -0.5(3) . . . . ?
C6 C1 C9 C10 178.8(3) . . . . ?
C6 C7 C8 C9 -0.5(3) . . . . ?
C6 C7 C8 C13 178.4(3) . . . . ?
C7 C8 C9 C1 0.6(3) . . . . ?
C7 C8 C9 C10 -178.8(3) . . . . ?
C7 C8 C13 C7 0.3(4) . . . 3_666 ?
C7 C8 C13 C12 179.8(3) . . . . ?
C8 C9 C10 C11 -1.7(4) . . . . ?
C9 C1 C2 C3 -177.7(3) . . . . ?
C9 C1 C6 C5 180.0(3) . . . . ?
C9 C1 C6 C7 0.2(3) . . . . ?
C9 C8 C13 C7 179.2(2) . . . 3_666 ?
C9 C8 C13 C12 -1.4(4) . . . . ?
C9 C10 C11 C12 0.6(5) . . . . ?
C10 C11 C12 C13 0.2(5) . . . . ?
C11 C12 C13 C7 179.6(3) . . . 3_666 ?
C11 C12 C13 C8 0.2(5) . . . . ?
C13 C7 C8 C9 -179.3(2) 3_666 . . . ?
C13 C7 C8 C13 -0.3(5) 3_666 . . . ?
C13 C8 C9 C1 -178.4(2) . . . . ?
C13 C8 C9 C10 2.2(4) . . . . ?
C14 C3 C4 C5 -179.4(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 1.783
_oxdiff_exptl_absorpt_empirical_full_min 0.517
