# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_npa
_database_code_depnum_ccdc_archive 'CCDC 1901585'
loop_
_audit_author_name
_audit_author_address
'Li jie'
;Tianjin University
China
;
_audit_update_record             
;
2019-03-28 deposited with the CCDC.	2020-09-01 downloaded from the CCDC.
;
_audit_creation_date             2017-12-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        C34H22
_chemical_formula_moiety         'C34 H22'
_chemical_formula_sum            'C34 H22'
_chemical_formula_weight         430.51
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C34 H22'
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   5.9799(3)
_cell_length_b                   7.5334(4)
_cell_length_c                   46.696(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.531(5)
_cell_angle_gamma                90
_cell_volume                     2101.55(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6204
_cell_measurement_temperature    150.02(10)
_cell_measurement_theta_max      73.9850
_cell_measurement_theta_min      5.6720
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.585
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.52292
_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            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             904
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       55
_diffrn_reflns_limit_l_min       -55
_diffrn_reflns_number            20925
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        66.586
_diffrn_reflns_theta_max         66.586
_diffrn_reflns_theta_min         3.790
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.02(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.1975
_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   -116.00 -17.00   1.00    6.47    --  -41.12 -37.00  60.00   99
  2  ω   -121.00   0.00   1.00    6.47    --  -41.12 -19.00 120.00  121
  3  ω      4.00  85.00   1.00    6.47    --   41.12-104.00 -58.00   81
  4  ω     23.00  97.00   1.00    6.47    --   41.12-125.00  30.00   74
  5  ω      1.00  82.00   1.00    6.47    --   41.12 -99.00-120.00   81
  6  ω     82.00 178.00   1.00   25.90    --  107.82  45.00-180.00   96
  7  ω     36.00 137.00   1.00   25.90    --  107.82 -61.00   0.00  101
  8  ω     94.00 178.00   1.00   25.90    --  107.82 125.00 -90.00   84
  9  ω     25.00 109.00   1.00   25.90    --  107.82 -94.00-150.00   84
 10  ω     35.00 122.00   1.00   25.90    --  107.82-125.00 150.00   87
 11  ω     94.00 178.00   1.00   25.90    --  107.82 125.00 120.00   84
 12  ω     25.00 109.00   1.00   25.90    --  107.82 -94.00 -30.00   84
 13  ω     55.00 178.00   1.00   25.90    --  107.82  15.00 -30.00  123
 14  ω     94.00 178.00   1.00   25.90    --  107.82 125.00-120.00   84
 15  ω     36.00 137.00   1.00   25.90    --  107.82 -61.00 150.00  101
 16  ω     79.00 178.00   1.00   25.90    --  107.82  61.00-150.00   99
 17  ω   -117.00  -9.00   1.00    6.47    --  -41.12 -77.00 -60.00  108
 18  ω    -65.00  33.00   1.00    6.47    --  -41.12  37.00 150.00   98
 19  ω   -117.00  -9.00   1.00    6.47    --  -41.12 -77.00  30.00  108
 20  ω      9.00 117.00   1.00    6.47    --   41.12  77.00-150.00  108
;
_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      -0.0829819000
_diffrn_orient_matrix_UB_12      -0.0241067000
_diffrn_orient_matrix_UB_13      -0.0314620000
_diffrn_orient_matrix_UB_21      -0.0134531000
_diffrn_orient_matrix_UB_22      -0.2021607000
_diffrn_orient_matrix_UB_23      0.0046150000
_diffrn_orient_matrix_UB_31      -0.2436987000
_diffrn_orient_matrix_UB_32      0.0194996000
_diffrn_orient_matrix_UB_33      0.0089321000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2937
_reflns_number_total             3702
_reflns_odcompleteness_completeness 99.93
_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 1.171.38.43f (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 (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         0.202
_refine_diff_density_min         -0.223
_refine_diff_density_rms         0.056
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.164
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         3702
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0647
_refine_ls_restrained_S_all      1.164
_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)+(0.0820P)²+1.3690P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1914
_refine_ls_wR_factor_ref         0.2002
_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:
 C002(H002), C005(H005), C006(H006), C009(H009), C00A(H00A), C00B(H00B),
 C00D(H00D), C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N),
 C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T), C00U(H00U),
 C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y)
;
_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
C001 C 0.4168(3) 0.5356(3) 0.72019(4) 0.0197(5) Uani 1 1 d . . . . .
C002 C 0.3356(3) 0.5145(3) 0.69132(4) 0.0206(5) Uani 1 1 d . . . . .
H002 H 0.1975 0.4602 0.6878 0.025 Uiso 1 1 calc R . . . .
C003 C 0.3665(3) 0.5175(3) 0.77166(4) 0.0186(4) Uani 1 1 d . . . . .
C004 C 0.5832(3) 0.5966(3) 0.77730(4) 0.0194(5) Uani 1 1 d . . . . .
C005 C 0.7117(3) 0.6436(3) 0.75411(4) 0.0200(5) Uani 1 1 d . . . . .
H005 H 0.8517 0.6949 0.7576 0.024 Uiso 1 1 calc R . . . .
C006 C 0.2895(3) 0.4893(3) 0.74349(4) 0.0204(5) Uani 1 1 d . . . . .
H006 H 0.1493 0.4382 0.7400 0.024 Uiso 1 1 calc R . . . .
C007 C 0.6338(3) 0.6152(3) 0.72590(4) 0.0199(5) Uani 1 1 d . . . . .
C008 C 0.4006(3) 0.5976(3) 0.58663(4) 0.0222(5) Uani 1 1 d . . . . .
C009 C 0.5209(3) 0.5082(3) 0.88194(4) 0.0215(5) Uani 1 1 d . . . . .
H009 H 0.3836 0.4530 0.8782 0.026 Uiso 1 1 calc R . . . .
C00A C 0.7579(3) 0.6640(3) 0.70178(4) 0.0213(5) Uani 1 1 d . . . . .
H00A H 0.9017 0.7093 0.7048 0.026 Uiso 1 1 calc R . . . .
C00B C 0.4803(3) 0.6179(3) 0.61541(4) 0.0218(5) Uani 1 1 d . . . . .
H00B H 0.6179 0.6728 0.6190 0.026 Uiso 1 1 calc R . . . .
C00C C 0.8172(3) 0.6036(3) 0.91663(4) 0.0218(5) Uani 1 1 d . . . . .
C00D C 0.6636(3) 0.6186(3) 0.80623(4) 0.0209(5) Uani 1 1 d . . . . .
H00D H 0.8020 0.6725 0.8098 0.025 Uiso 1 1 calc R . . . .
C00E C 0.4539(3) 0.5714(3) 0.66840(4) 0.0202(5) Uani 1 1 d . . . . .
C00F C 0.5446(3) 0.5634(3) 0.82915(4) 0.0201(5) Uani 1 1 d . . . . .
C00G C 0.6370(3) 0.5726(3) 0.85918(4) 0.0208(5) Uani 1 1 d . . . . .
C00H C 0.3620(3) 0.5595(3) 0.63832(4) 0.0208(5) Uani 1 1 d . . . . .
C00I C 0.6042(3) 0.5235(3) 0.91070(4) 0.0220(5) Uani 1 1 d . . . . .
C00J C 0.3249(3) 0.4906(3) 0.82299(4) 0.0212(5) Uani 1 1 d . . . . .
H00J H 0.2383 0.4566 0.8381 0.025 Uiso 1 1 calc R . . . .
C00K C 0.2411(3) 0.4706(3) 0.79576(4) 0.0216(5) Uani 1 1 d . . . . .
H00K H 0.0976 0.4248 0.7927 0.026 Uiso 1 1 calc R . . . .
C00L C 0.9391(3) 0.6625(3) 0.89306(4) 0.0232(5) Uani 1 1 d . . . . .
H00L H 1.0808 0.7112 0.8964 0.028 Uiso 1 1 calc R . . . .
C00M C 0.6726(3) 0.6465(3) 0.67457(4) 0.0219(5) Uani 1 1 d . . . . .
H00M H 0.7573 0.6838 0.6595 0.026 Uiso 1 1 calc R . . . .
C00N C 0.4794(4) 0.4649(3) 0.93400(4) 0.0259(5) Uani 1 1 d . . . . .
H00N H 0.3404 0.4120 0.9304 0.031 Uiso 1 1 calc R . . . .
C00O C 0.1874(3) 0.5171(3) 0.58081(4) 0.0223(5) Uani 1 1 d . . . . .
C00P C 0.0630(3) 0.4648(3) 0.60454(4) 0.0236(5) Uani 1 1 d . . . . .
H00P H -0.0790 0.4164 0.6013 0.028 Uiso 1 1 calc R . . . .
C00Q C 0.8522(3) 0.6491(3) 0.86563(4) 0.0229(5) Uani 1 1 d . . . . .
H00Q H 0.9355 0.6910 0.8507 0.028 Uiso 1 1 calc R . . . .
C00R C 0.8956(4) 0.6249(3) 0.94544(5) 0.0264(5) Uani 1 1 d . . . . .
H00R H 1.0336 0.6785 0.9495 0.032 Uiso 1 1 calc R . . . .
C00S C 0.1467(3) 0.4837(3) 0.63200(4) 0.0230(5) Uani 1 1 d . . . . .
H00S H 0.0613 0.4462 0.6470 0.028 Uiso 1 1 calc R . . . .
C00T C 0.5271(3) 0.6508(3) 0.56322(4) 0.0256(5) Uani 1 1 d . . . . .
H00T H 0.6662 0.7037 0.5667 0.031 Uiso 1 1 calc R . . . .
C00U C 0.1105(4) 0.4918(3) 0.55202(5) 0.0279(5) Uani 1 1 d . . . . .
H00U H -0.0279 0.4388 0.5480 0.033 Uiso 1 1 calc R . . . .
C00V C 0.2385(4) 0.5448(3) 0.52995(5) 0.0307(5) Uani 1 1 d . . . . .
H00V H 0.1868 0.5272 0.5111 0.037 Uiso 1 1 calc R . . . .
C00W C 0.4481(4) 0.6258(3) 0.53567(5) 0.0297(5) Uani 1 1 d . . . . .
H00W H 0.5332 0.6625 0.5206 0.036 Uiso 1 1 calc R . . . .
C00X C 0.5605(4) 0.4853(3) 0.96159(5) 0.0304(5) Uani 1 1 d . . . . .
H00X H 0.4771 0.4449 0.9766 0.037 Uiso 1 1 calc R . . . .
C00Y C 0.7706(4) 0.5674(3) 0.96749(5) 0.0302(5) Uani 1 1 d . . . . .
H00Y H 0.8237 0.5822 0.9864 0.036 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
C001 C002 1.421(3) . ?
C001 C006 1.400(3) . ?
C001 C007 1.444(3) . ?
C002 H002 0.9300 . ?
C002 C00E 1.377(3) . ?
C003 C004 1.440(3) . ?
C003 C006 1.390(3) . ?
C003 C00K 1.424(3) . ?
C004 C005 1.401(3) . ?
C004 C00D 1.424(3) . ?
C005 H005 0.9300 . ?
C005 C007 1.394(3) . ?
C006 H006 0.9300 . ?
C007 C00A 1.424(3) . ?
C008 C00B 1.414(3) . ?
C008 C00O 1.427(3) . ?
C008 C00T 1.414(3) . ?
C009 H009 0.9300 . ?
C009 C00G 1.383(3) . ?
C009 C00I 1.416(3) . ?
C00A H00A 0.9300 . ?
C00A C00M 1.355(3) . ?
C00B H00B 0.9300 . ?
C00B C00H 1.380(3) . ?
C00C C00I 1.426(3) . ?
C00C C00L 1.418(3) . ?
C00C C00R 1.414(3) . ?
C00D H00D 0.9300 . ?
C00D C00F 1.375(3) . ?
C00E C00H 1.488(3) . ?
C00E C00M 1.442(3) . ?
C00F C00G 1.486(3) . ?
C00F C00J 1.441(3) . ?
C00G C00Q 1.430(3) . ?
C00H C00S 1.427(3) . ?
C00I C00N 1.417(3) . ?
C00J H00J 0.9300 . ?
C00J C00K 1.354(3) . ?
C00K H00K 0.9300 . ?
C00L H00L 0.9300 . ?
C00L C00Q 1.365(3) . ?
C00M H00M 0.9300 . ?
C00N H00N 0.9300 . ?
C00N C00X 1.365(3) . ?
C00O C00P 1.418(3) . ?
C00O C00U 1.414(3) . ?
C00P H00P 0.9300 . ?
C00P C00S 1.363(3) . ?
C00Q H00Q 0.9300 . ?
C00R H00R 0.9300 . ?
C00R C00Y 1.369(3) . ?
C00S H00S 0.9300 . ?
C00T H00T 0.9300 . ?
C00T C00W 1.364(3) . ?
C00U H00U 0.9300 . ?
C00U C00V 1.370(3) . ?
C00V H00V 0.9300 . ?
C00V C00W 1.409(3) . ?
C00W H00W 0.9300 . ?
C00X H00X 0.9300 . ?
C00X C00Y 1.417(3) . ?
C00Y H00Y 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
C002 C001 C007 119.23(18) . . ?
C006 C001 C002 122.33(19) . . ?
C006 C001 C007 118.38(18) . . ?
C001 C002 H002 118.8 . . ?
C00E C002 C001 122.47(19) . . ?
C00E C002 H002 118.8 . . ?
C006 C003 C004 119.61(18) . . ?
C006 C003 C00K 123.07(19) . . ?
C00K C003 C004 117.32(18) . . ?
C005 C004 C003 118.90(18) . . ?
C005 C004 C00D 122.02(19) . . ?
C00D C004 C003 119.04(18) . . ?
C004 C005 H005 119.3 . . ?
C007 C005 C004 121.31(19) . . ?
C007 C005 H005 119.3 . . ?
C001 C006 H006 119.0 . . ?
C003 C006 C001 121.91(19) . . ?
C003 C006 H006 119.0 . . ?
C005 C007 C001 119.89(18) . . ?
C005 C007 C00A 122.94(19) . . ?
C00A C007 C001 117.16(18) . . ?
C00B C008 C00O 119.18(18) . . ?
C00B C008 C00T 122.33(19) . . ?
C00T C008 C00O 118.48(19) . . ?
C00G C009 H009 118.9 . . ?
C00G C009 C00I 122.23(19) . . ?
C00I C009 H009 118.9 . . ?
C007 C00A H00A 119.0 . . ?
C00M C00A C007 121.94(19) . . ?
C00M C00A H00A 119.0 . . ?
C008 C00B H00B 118.7 . . ?
C00H C00B C008 122.66(19) . . ?
C00H C00B H00B 118.7 . . ?
C00L C00C C00I 117.87(18) . . ?
C00R C00C C00I 119.25(19) . . ?
C00R C00C C00L 122.86(19) . . ?
C004 C00D H00D 118.7 . . ?
C00F C00D C004 122.58(19) . . ?
C00F C00D H00D 118.7 . . ?
C002 C00E C00H 122.29(19) . . ?
C002 C00E C00M 117.31(18) . . ?
C00M C00E C00H 120.39(18) . . ?
C00D C00F C00G 122.46(19) . . ?
C00D C00F C00J 117.27(18) . . ?
C00J C00F C00G 120.25(17) . . ?
C009 C00G C00F 122.07(19) . . ?
C009 C00G C00Q 117.19(18) . . ?
C00Q C00G C00F 120.74(18) . . ?
C00B C00H C00E 122.15(19) . . ?
C00B C00H C00S 117.09(19) . . ?
C00S C00H C00E 120.75(18) . . ?
C009 C00I C00C 119.49(18) . . ?
C009 C00I C00N 121.85(19) . . ?
C00N C00I C00C 118.64(19) . . ?
C00F C00J H00J 119.1 . . ?
C00K C00J C00F 121.72(18) . . ?
C00K C00J H00J 119.1 . . ?
C003 C00K H00K 119.0 . . ?
C00J C00K C003 121.92(19) . . ?
C00J C00K H00K 119.0 . . ?
C00C C00L H00L 119.4 . . ?
C00Q C00L C00C 121.20(19) . . ?
C00Q C00L H00L 119.4 . . ?
C00A C00M C00E 121.75(18) . . ?
C00A C00M H00M 119.1 . . ?
C00E C00M H00M 119.1 . . ?
C00I C00N H00N 119.6 . . ?
C00X C00N C00I 120.8(2) . . ?
C00X C00N H00N 119.6 . . ?
C00P C00O C008 117.69(19) . . ?
C00U C00O C008 119.25(19) . . ?
C00U C00O C00P 123.1(2) . . ?
C00O C00P H00P 119.3 . . ?
C00S C00P C00O 121.49(19) . . ?
C00S C00P H00P 119.3 . . ?
C00G C00Q H00Q 119.0 . . ?
C00L C00Q C00G 121.96(19) . . ?
C00L C00Q H00Q 119.0 . . ?
C00C C00R H00R 119.7 . . ?
C00Y C00R C00C 120.7(2) . . ?
C00Y C00R H00R 119.7 . . ?
C00H C00S H00S 119.1 . . ?
C00P C00S C00H 121.81(19) . . ?
C00P C00S H00S 119.1 . . ?
C008 C00T H00T 119.5 . . ?
C00W C00T C008 121.0(2) . . ?
C00W C00T H00T 119.5 . . ?
C00O C00U H00U 119.8 . . ?
C00V C00U C00O 120.4(2) . . ?
C00V C00U H00U 119.8 . . ?
C00U C00V H00V 119.8 . . ?
C00U C00V C00W 120.4(2) . . ?
C00W C00V H00V 119.8 . . ?
C00T C00W C00V 120.4(2) . . ?
C00T C00W H00W 119.8 . . ?
C00V C00W H00W 119.8 . . ?
C00N C00X H00X 119.7 . . ?
C00N C00X C00Y 120.5(2) . . ?
C00Y C00X H00X 119.7 . . ?
C00R C00Y C00X 120.1(2) . . ?
C00R C00Y H00Y 120.0 . . ?
C00X C00Y H00Y 120.0 . . ?

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
C001 C002 C00E C00H -175.97(17) . . . . ?
C001 C002 C00E C00M 3.2(3) . . . . ?
C001 C007 C00A C00M 3.7(3) . . . . ?
C002 C001 C006 C003 -177.19(18) . . . . ?
C002 C001 C007 C005 177.33(18) . . . . ?
C002 C001 C007 C00A -1.7(3) . . . . ?
C002 C00E C00H C00B 179.50(19) . . . . ?
C002 C00E C00H C00S -1.5(3) . . . . ?
C002 C00E C00M C00A -1.3(3) . . . . ?
C003 C004 C005 C007 -0.1(3) . . . . ?
C003 C004 C00D C00F 1.6(3) . . . . ?
C004 C003 C006 C001 0.0(3) . . . . ?
C004 C003 C00K C00J -3.2(3) . . . . ?
C004 C005 C007 C001 -0.1(3) . . . . ?
C004 C005 C007 C00A 178.91(19) . . . . ?
C004 C00D C00F C00G 174.71(18) . . . . ?
C004 C00D C00F C00J -3.8(3) . . . . ?
C005 C004 C00D C00F -176.08(19) . . . . ?
C005 C007 C00A C00M -175.35(19) . . . . ?
C006 C001 C002 C00E 175.31(19) . . . . ?
C006 C001 C007 C005 0.2(3) . . . . ?
C006 C001 C007 C00A -178.86(18) . . . . ?
C006 C003 C004 C005 0.1(3) . . . . ?
C006 C003 C004 C00D -177.66(18) . . . . ?
C006 C003 C00K C00J 176.36(19) . . . . ?
C007 C001 C002 C00E -1.7(3) . . . . ?
C007 C001 C006 C003 -0.1(3) . . . . ?
C007 C00A C00M C00E -2.2(3) . . . . ?
C008 C00B C00H C00E 176.06(18) . . . . ?
C008 C00B C00H C00S -3.0(3) . . . . ?
C008 C00O C00P C00S -2.6(3) . . . . ?
C008 C00O C00U C00V -0.3(3) . . . . ?
C008 C00T C00W C00V -0.5(3) . . . . ?
C009 C00G C00Q C00L -1.5(3) . . . . ?
C009 C00I C00N C00X -178.3(2) . . . . ?
C00B C008 C00O C00P 1.4(3) . . . . ?
C00B C008 C00O C00U -178.11(19) . . . . ?
C00B C008 C00T C00W 178.5(2) . . . . ?
C00B C00H C00S C00P 1.8(3) . . . . ?
C00C C00I C00N C00X 0.3(3) . . . . ?
C00C C00L C00Q C00G -1.1(3) . . . . ?
C00C C00R C00Y C00X 0.1(3) . . . . ?
C00D C004 C005 C007 177.64(18) . . . . ?
C00D C00F C00G C009 -176.5(2) . . . . ?
C00D C00F C00G C00Q 3.3(3) . . . . ?
C00D C00F C00J C00K 2.5(3) . . . . ?
C00E C00H C00S C00P -177.25(18) . . . . ?
C00F C00G C00Q C00L 178.66(19) . . . . ?
C00F C00J C00K C003 1.0(3) . . . . ?
C00G C009 C00I C00C -1.6(3) . . . . ?
C00G C009 C00I C00N 176.9(2) . . . . ?
C00G C00F C00J C00K -176.02(18) . . . . ?
C00H C00E C00M C00A 177.93(18) . . . . ?
C00I C009 C00G C00F -177.29(18) . . . . ?
C00I C009 C00G C00Q 2.8(3) . . . . ?
C00I C00C C00L C00Q 2.3(3) . . . . ?
C00I C00C C00R C00Y 0.9(3) . . . . ?
C00I C00N C00X C00Y 0.7(3) . . . . ?
C00J C00F C00G C009 1.9(3) . . . . ?
C00J C00F C00G C00Q -178.21(18) . . . . ?
C00K C003 C004 C005 179.69(18) . . . . ?
C00K C003 C004 C00D 1.9(3) . . . . ?
C00K C003 C006 C001 -179.55(19) . . . . ?
C00L C00C C00I C009 -1.0(3) . . . . ?
C00L C00C C00I C00N -179.56(19) . . . . ?
C00L C00C C00R C00Y 179.3(2) . . . . ?
C00M C00E C00H C00B 0.4(3) . . . . ?
C00M C00E C00H C00S 179.34(18) . . . . ?
C00N C00X C00Y C00R -0.9(4) . . . . ?
C00O C008 C00B C00H 1.4(3) . . . . ?
C00O C008 C00T C00W -0.1(3) . . . . ?
C00O C00P C00S C00H 1.0(3) . . . . ?
C00O C00U C00V C00W -0.2(3) . . . . ?
C00P C00O C00U C00V -179.9(2) . . . . ?
C00R C00C C00I C009 177.51(18) . . . . ?
C00R C00C C00I C00N -1.1(3) . . . . ?
C00R C00C C00L C00Q -176.10(19) . . . . ?
C00T C008 C00B C00H -177.2(2) . . . . ?
C00T C008 C00O C00P -179.93(19) . . . . ?
C00T C008 C00O C00U 0.5(3) . . . . ?
C00U C00O C00P C00S 176.93(19) . . . . ?
C00U C00V C00W C00T 0.7(4) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_date_sample_data_collection 2017-12-18
_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 1.672
_oxdiff_exptl_absorpt_empirical_full_min 0.677
