# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_1_sx_sx_sx_pl
_database_code_depnum_ccdc_archive 'CCDC 1997206'
loop_
_audit_author_name
_audit_author_address
BMeF
;IAM
China
;
_audit_update_record             
;
2020-04-16 deposited with the CCDC.	2021-01-11 downloaded from the CCDC.
;
_audit_creation_date             2019-10-31
_audit_creation_method           
;
Olex2 1.2-alpha
(compiled 2017.05.22 svn.r3414 for OlexSys, GUI svn.r5347)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C15 H13)'
_chemical_formula_sum            'C30 H26'
_chemical_formula_weight         386.51
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.390(3)
_cell_length_b                   9.828(3)
_cell_length_c                   13.251(4)
_cell_angle_alpha                79.129(11)
_cell_angle_beta                 87.424(7)
_cell_angle_gamma                89.762(7)
_cell_volume                     1071.9(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4446
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      26.22
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.4599
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             412
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0698
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.849
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7029
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.849
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.218
_diffrn_reflns_theta_min         1.566
_diffrn_ambient_temperature      293.15
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 5.6
_diffrn_detector_type            'Bruker SMART CCD 6000 area detector'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD 6000 area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3022
_reflns_number_total             4264
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         0.750
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         4264
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1248
_refine_ls_R_factor_gt           0.0978
_refine_ls_restrained_S_all      1.039
_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)+(0.1955P)²+0.1968P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2525
_refine_ls_wR_factor_ref         0.2849
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.9951(10)
 0.0049(10)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C11(H11), C28(H28), C29(H29),
 C30(H30), C31(H31), C34(H34), C35(H35), C37(H37)
3.b Idealised Me refined as rotating group:
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C57(H57A,H57B,H57C), C58(H58A,H58B,
 H58C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.9208(3) -0.5902(3) -0.1947(2) 0.0393(6) Uani 1 1 d . . . . .
C2 C 1.0143(4) -0.6127(3) -0.1099(2) 0.0485(7) Uani 1 1 d . . . . .
H2 H 0.977489 -0.589096 -0.048226 0.058 Uiso 1 1 calc R . . . .
C3 C 1.1651(4) -0.6716(3) -0.1182(3) 0.0561(8) Uani 1 1 d . . . . .
H3 H 1.228783 -0.687171 -0.061515 0.067 Uiso 1 1 calc R . . . .
C4 C 1.2204(4) -0.7066(3) -0.2088(2) 0.0551(8) Uani 1 1 d . . . . .
H4 H 1.321531 -0.744653 -0.213245 0.066 Uiso 1 1 calc R . . . .
C5 C 1.1262(3) -0.6857(3) -0.2942(2) 0.0493(7) Uani 1 1 d . . . . .
H5 H 1.163400 -0.710469 -0.355346 0.059 Uiso 1 1 calc R . . . .
C6 C 0.9765(3) -0.6278(3) -0.28689(19) 0.0392(6) Uani 1 1 d . . . . .
C7 C 0.8509(3) -0.5966(3) -0.36162(19) 0.0379(6) Uani 1 1 d . . . . .
C8 C 0.8417(3) -0.6182(3) -0.4621(2) 0.0488(7) Uani 1 1 d . . . . .
H8 H 0.926862 -0.657240 -0.493707 0.059 Uiso 1 1 calc R . . . .
C9 C 0.7043(3) -0.5808(3) -0.5146(2) 0.0482(7) Uani 1 1 d . . . . .
H9 H 0.698545 -0.596428 -0.581401 0.058 Uiso 1 1 calc R . . . .
C10 C 0.5736(3) -0.5202(3) -0.47060(18) 0.0384(6) Uani 1 1 d . . . . .
C11 C 0.5845(3) -0.5009(3) -0.36896(19) 0.0413(6) Uani 1 1 d . . . . .
H11 H 0.499240 -0.462418 -0.337023 0.050 Uiso 1 1 calc R . . . .
C12 C 0.7210(3) -0.5387(3) -0.31563(18) 0.0376(6) Uani 1 1 d . . . . .
C13 C 0.7548(3) -0.5238(3) -0.20599(19) 0.0412(6) Uani 1 1 d . . . . .
C53 C 0.6306(4) -0.5995(4) -0.1266(2) 0.0568(8) Uani 1 1 d . . . . .
H53A H 0.528822 -0.555358 -0.137255 0.085 Uiso 1 1 calc GR . . . .
H53B H 0.662864 -0.596114 -0.058527 0.085 Uiso 1 1 calc GR . . . .
H53C H 0.622403 -0.694327 -0.134413 0.085 Uiso 1 1 calc GR . . . .
C54 C 0.7649(4) -0.3700(3) -0.1984(3) 0.0599(9) Uani 1 1 d . . . . .
H54A H 0.844282 -0.324635 -0.247706 0.090 Uiso 1 1 calc GR . . . .
H54B H 0.793614 -0.362120 -0.130425 0.090 Uiso 1 1 calc GR . . . .
H54C H 0.663280 -0.327050 -0.212425 0.090 Uiso 1 1 calc GR . . . .
C27 C 0.4218(3) -1.0698(3) -0.19515(19) 0.0372(6) Uani 1 1 d . . . . .
C28 C 0.5171(3) -1.0928(3) -0.1108(2) 0.0467(7) Uani 1 1 d . . . . .
H28 H 0.481097 -1.148716 -0.049437 0.056 Uiso 1 1 calc R . . . .
C29 C 0.6659(4) -1.0316(3) -0.1190(2) 0.0516(8) Uani 1 1 d . . . . .
H29 H 0.730559 -1.047380 -0.062757 0.062 Uiso 1 1 calc R . . . .
C30 C 0.7211(4) -0.9467(3) -0.2099(2) 0.0518(8) Uani 1 1 d . . . . .
H30 H 0.822156 -0.906971 -0.214170 0.062 Uiso 1 1 calc R . . . .
C31 C 0.6256(3) -0.9212(3) -0.2945(2) 0.0484(7) Uani 1 1 d . . . . .
H31 H 0.661025 -0.863347 -0.355111 0.058 Uiso 1 1 calc R . . . .
C32 C 0.4764(3) -0.9837(3) -0.28680(19) 0.0385(6) Uani 1 1 d . . . . .
C33 C 0.3501(3) -0.9752(3) -0.36156(19) 0.0373(6) Uani 1 1 d . . . . .
C34 C 0.3410(3) -0.9015(3) -0.4621(2) 0.0484(7) Uani 1 1 d . . . . .
H34 H 0.425939 -0.846366 -0.493433 0.058 Uiso 1 1 calc R . . . .
C35 C 0.2036(3) -0.9117(3) -0.5147(2) 0.0486(7) Uani 1 1 d . . . . .
H35 H 0.197563 -0.861836 -0.581444 0.058 Uiso 1 1 calc R . . . .
C36 C 0.0726(3) -0.9950(3) -0.47057(18) 0.0388(6) Uani 1 1 d . . . . .
C37 C 0.0847(3) -1.0674(3) -0.36851(19) 0.0407(6) Uani 1 1 d . . . . .
H37 H -0.000065 -1.122143 -0.336596 0.049 Uiso 1 1 calc R . . . .
C38 C 0.2208(3) -1.0578(3) -0.31556(18) 0.0378(6) Uani 1 1 d . . . . .
C39 C 0.2559(3) -1.1296(3) -0.20575(18) 0.0393(6) Uani 1 1 d . . . . .
C57 C 0.1332(4) -1.0950(3) -0.1259(2) 0.0519(8) Uani 1 1 d . . . . .
H57A H 0.029901 -1.127357 -0.139350 0.078 Uiso 1 1 calc GR . . . .
H57B H 0.130196 -0.996561 -0.129692 0.078 Uiso 1 1 calc GR . . . .
H57C H 0.162394 -1.139498 -0.058425 0.078 Uiso 1 1 calc GR . . . .
C58 C 0.2648(4) -1.2880(3) -0.1986(2) 0.0560(8) Uani 1 1 d . . . . .
H58A H 0.161353 -1.322952 -0.209146 0.084 Uiso 1 1 calc GR . . . .
H58B H 0.298681 -1.330739 -0.131872 0.084 Uiso 1 1 calc GR . . . .
H58C H 0.339715 -1.308752 -0.250439 0.084 Uiso 1 1 calc GR . . . .


_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 1.383(4) . ?
C1 C6 1.402(4) . ?
C1 C13 1.537(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.397(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.371(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.392(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.384(4) . ?
C6 C7 1.470(4) . ?
C7 C8 1.393(4) . ?
C7 C12 1.397(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.385(4) . ?
C9 H9 0.9300 . ?
C9 C10 1.402(4) . ?
C10 C10 1.501(5) 2_644 ?
C10 C11 1.402(4) . ?
C11 H11 0.9300 . ?
C11 C12 1.385(4) . ?
C12 C13 1.526(3) . ?
C13 C53 1.536(4) . ?
C13 C54 1.537(4) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C27 C28 1.387(4) . ?
C27 C32 1.402(4) . ?
C27 C39 1.535(4) . ?
C28 H28 0.9300 . ?
C28 C29 1.379(4) . ?
C29 H29 0.9300 . ?
C29 C30 1.392(4) . ?
C30 H30 0.9300 . ?
C30 C31 1.391(4) . ?
C31 H31 0.9300 . ?
C31 C32 1.388(4) . ?
C32 C33 1.474(3) . ?
C33 C34 1.397(4) . ?
C33 C38 1.403(4) . ?
C34 H34 0.9300 . ?
C34 C35 1.388(4) . ?
C35 H35 0.9300 . ?
C35 C36 1.411(4) . ?
C36 C36 1.488(5) 2_534 ?
C36 C37 1.412(4) . ?
C37 H37 0.9300 . ?
C37 C38 1.380(4) . ?
C38 C39 1.533(3) . ?
C39 C57 1.526(4) . ?
C39 C58 1.543(4) . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 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 C6 120.1(3) . . ?
C2 C1 C13 128.9(2) . . ?
C6 C1 C13 111.0(2) . . ?
C1 C2 H2 120.5 . . ?
C1 C2 C3 119.0(3) . . ?
C3 C2 H2 120.5 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.9(3) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.5(3) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.2(3) . . ?
C6 C5 H5 120.4 . . ?
C1 C6 C7 108.2(2) . . ?
C5 C6 C1 120.3(3) . . ?
C5 C6 C7 131.5(2) . . ?
C8 C7 C6 131.8(2) . . ?
C8 C7 C12 119.3(2) . . ?
C12 C7 C6 108.9(2) . . ?
C7 C8 H8 120.3 . . ?
C9 C8 C7 119.3(3) . . ?
C9 C8 H8 120.3 . . ?
C8 C9 H9 118.8 . . ?
C8 C9 C10 122.4(2) . . ?
C10 C9 H9 118.8 . . ?
C9 C10 C10 121.3(3) . 2_644 ?
C9 C10 C11 117.4(2) . . ?
C11 C10 C10 121.3(3) . 2_644 ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.7(2) . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C13 111.1(2) . . ?
C11 C12 C7 120.9(2) . . ?
C11 C12 C13 127.9(2) . . ?
C1 C13 C54 110.0(2) . . ?
C12 C13 C1 100.7(2) . . ?
C12 C13 C53 112.4(2) . . ?
C12 C13 C54 110.4(2) . . ?
C53 C13 C1 112.4(2) . . ?
C53 C13 C54 110.6(2) . . ?
C13 C53 H53A 109.5 . . ?
C13 C53 H53B 109.5 . . ?
C13 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C13 C54 H54A 109.5 . . ?
C13 C54 H54B 109.5 . . ?
C13 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C28 C27 C32 119.9(3) . . ?
C28 C27 C39 128.7(2) . . ?
C32 C27 C39 111.4(2) . . ?
C27 C28 H28 120.4 . . ?
C29 C28 C27 119.2(3) . . ?
C29 C28 H28 120.4 . . ?
C28 C29 H29 119.4 . . ?
C28 C29 C30 121.1(3) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 H30 119.9 . . ?
C31 C30 C29 120.2(3) . . ?
C31 C30 H30 119.9 . . ?
C30 C31 H31 120.6 . . ?
C32 C31 C30 118.8(3) . . ?
C32 C31 H31 120.6 . . ?
C27 C32 C33 108.2(2) . . ?
C31 C32 C27 120.7(2) . . ?
C31 C32 C33 131.0(2) . . ?
C34 C33 C32 131.7(2) . . ?
C34 C33 C38 119.7(2) . . ?
C38 C33 C32 108.6(2) . . ?
C33 C34 H34 120.5 . . ?
C35 C34 C33 119.1(3) . . ?
C35 C34 H34 120.5 . . ?
C34 C35 H35 118.8 . . ?
C34 C35 C36 122.3(2) . . ?
C36 C35 H35 118.8 . . ?
C35 C36 C36 121.0(3) . 2_534 ?
C35 C36 C37 117.3(2) . . ?
C37 C36 C36 121.7(3) . 2_534 ?
C36 C37 H37 119.6 . . ?
C38 C37 C36 120.8(2) . . ?
C38 C37 H37 119.6 . . ?
C33 C38 C39 111.1(2) . . ?
C37 C38 C33 120.8(2) . . ?
C37 C38 C39 128.0(2) . . ?
C27 C39 C58 110.5(2) . . ?
C38 C39 C27 100.6(2) . . ?
C38 C39 C58 110.3(2) . . ?
C57 C39 C27 112.6(2) . . ?
C57 C39 C38 112.6(2) . . ?
C57 C39 C58 109.9(2) . . ?
C39 C57 H57A 109.5 . . ?
C39 C57 H57B 109.5 . . ?
C39 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C39 C58 H58A 109.5 . . ?
C39 C58 H58B 109.5 . . ?
C39 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 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 0.1(5) . . . . ?
C1 C6 C7 C8 -177.2(3) . . . . ?
C1 C6 C7 C12 0.9(3) . . . . ?
C2 C1 C6 C5 -0.9(4) . . . . ?
C2 C1 C6 C7 178.0(2) . . . . ?
C2 C1 C13 C12 -177.4(3) . . . . ?
C2 C1 C13 C53 -57.6(4) . . . . ?
C2 C1 C13 C54 66.1(4) . . . . ?
C2 C3 C4 C5 -0.8(5) . . . . ?
C3 C4 C5 C6 0.7(5) . . . . ?
C4 C5 C6 C1 0.2(4) . . . . ?
C4 C5 C6 C7 -178.4(3) . . . . ?
C5 C6 C7 C8 1.5(5) . . . . ?
C5 C6 C7 C12 179.6(3) . . . . ?
C6 C1 C2 C3 0.8(4) . . . . ?
C6 C1 C13 C12 3.7(3) . . . . ?
C6 C1 C13 C53 123.5(3) . . . . ?
C6 C1 C13 C54 -112.8(3) . . . . ?
C6 C7 C8 C9 178.4(3) . . . . ?
C6 C7 C12 C11 -179.2(2) . . . . ?
C6 C7 C12 C13 1.6(3) . . . . ?
C7 C8 C9 C10 0.7(5) . . . . ?
C7 C12 C13 C1 -3.1(3) . . . . ?
C7 C12 C13 C53 -123.0(3) . . . . ?
C7 C12 C13 C54 113.1(3) . . . . ?
C8 C7 C12 C11 -0.8(4) . . . . ?
C8 C7 C12 C13 180.0(2) . . . . ?
C8 C9 C10 C10 179.6(3) . . . 2_644 ?
C8 C9 C10 C11 -1.4(4) . . . . ?
C9 C10 C11 C12 1.0(4) . . . . ?
C10 C10 C11 C12 -180.0(3) 2_644 . . . ?
C10 C11 C12 C7 0.1(4) . . . . ?
C10 C11 C12 C13 179.1(3) . . . . ?
C11 C12 C13 C1 177.7(3) . . . . ?
C11 C12 C13 C53 57.9(4) . . . . ?
C11 C12 C13 C54 -66.1(4) . . . . ?
C12 C7 C8 C9 0.5(4) . . . . ?
C13 C1 C2 C3 -178.0(3) . . . . ?
C13 C1 C6 C5 178.1(2) . . . . ?
C13 C1 C6 C7 -3.0(3) . . . . ?
C27 C28 C29 C30 0.5(4) . . . . ?
C27 C32 C33 C34 178.1(3) . . . . ?
C27 C32 C33 C38 -0.9(3) . . . . ?
C28 C27 C32 C31 0.3(4) . . . . ?
C28 C27 C32 C33 -178.5(2) . . . . ?
C28 C27 C39 C38 178.2(3) . . . . ?
C28 C27 C39 C57 58.1(4) . . . . ?
C28 C27 C39 C58 -65.2(3) . . . . ?
C28 C29 C30 C31 0.5(5) . . . . ?
C29 C30 C31 C32 -1.1(4) . . . . ?
C30 C31 C32 C27 0.7(4) . . . . ?
C30 C31 C32 C33 179.2(3) . . . . ?
C31 C32 C33 C34 -0.6(5) . . . . ?
C31 C32 C33 C38 -179.6(3) . . . . ?
C32 C27 C28 C29 -0.9(4) . . . . ?
C32 C27 C39 C38 -3.0(3) . . . . ?
C32 C27 C39 C57 -123.0(2) . . . . ?
C32 C27 C39 C58 113.6(2) . . . . ?
C32 C33 C34 C35 -178.9(3) . . . . ?
C32 C33 C38 C37 179.2(2) . . . . ?
C32 C33 C38 C39 -1.1(3) . . . . ?
C33 C34 C35 C36 -0.6(5) . . . . ?
C33 C38 C39 C27 2.4(3) . . . . ?
C33 C38 C39 C57 122.4(3) . . . . ?
C33 C38 C39 C58 -114.3(3) . . . . ?
C34 C33 C38 C37 0.1(4) . . . . ?
C34 C33 C38 C39 179.8(2) . . . . ?
C34 C35 C36 C36 -179.3(3) . . . 2_534 ?
C34 C35 C36 C37 1.1(4) . . . . ?
C35 C36 C37 C38 -1.0(4) . . . . ?
C36 C36 C37 C38 179.4(3) 2_534 . . . ?
C36 C37 C38 C33 0.4(4) . . . . ?
C36 C37 C38 C39 -179.2(2) . . . . ?
C37 C38 C39 C27 -177.9(2) . . . . ?
C37 C38 C39 C57 -57.9(4) . . . . ?
C37 C38 C39 C58 65.3(3) . . . . ?
C38 C33 C34 C35 0.0(4) . . . . ?
C39 C27 C28 C29 177.8(2) . . . . ?
C39 C27 C32 C31 -178.6(2) . . . . ?
C39 C27 C32 C33 2.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.9951(10)
2 0.0049(10)

