# 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_acpcn
_database_code_depnum_ccdc_archive 'CCDC 2042850'
loop_
_audit_author_name
_audit_author_address
'Xu Qiu'
;South China University of Technology
China
;
_audit_update_record             
;
2020-11-06 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;
_audit_creation_date             2018-06-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C26 H20 N2'
_chemical_formula_sum            'C26 H20 N2'
_chemical_formula_weight         360.44
_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'
N N 0.0311 0.0180 '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                   15.8871(4)
_cell_length_b                   8.51966(11)
_cell_length_c                   16.1057(4)
_cell_angle_alpha                90
_cell_angle_beta                 119.369(3)
_cell_angle_gamma                90
_cell_volume                     1899.78(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10064
_cell_measurement_temperature    100.1(9)
_cell_measurement_theta_max      73.3450
_cell_measurement_theta_min      5.4820
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.568
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70025
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
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    1.260
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17961
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.073
_diffrn_reflns_theta_max         67.073
_diffrn_reflns_theta_min         3.201
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.1(9)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_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    -33.00  13.00   0.50    0.77    --    0.00 -19.00 -60.00   92
  2  ω    -65.00 -39.00   0.50    0.77    --    0.00 -19.00 -60.00   52
  3  ω    -88.00 -46.00   0.50    0.77    --    0.00 -38.00 120.00   84
  4  ω    -33.00  -8.00   0.50    0.77    --    0.00 -38.00 120.00   50
  5  ω   -184.00 -89.00   0.50    3.08    --  -98.80 -57.00  90.00  190
  6  ω   -107.00 -75.00   0.50    3.08    --  -98.80  72.00-180.00   64
  7  ω   -188.00-124.00   0.50    3.08    --  -98.80 -38.00-180.00  128
  8  ω   -113.00 -20.00   0.50    3.08    --  -98.80  57.00-150.00  186
  9  ω   -125.00 -99.00   0.50    3.08    --  -98.80 -19.00 -90.00   52
 10  ω    -34.00  13.00   0.50    0.77    --    0.00 -72.00-120.00   94
 11  ω    -21.00   5.00   0.50    0.77    --    0.00 -38.00 150.00   52
 12  ω    -85.00 -23.00   0.50    0.77    --    0.00 -57.00  60.00  124
 13  ω    -78.00 -52.00   0.50    0.77    --    0.00 -72.00-120.00   52
 14  ω    -12.00  13.00   0.50    0.77    --    0.00 -57.00  60.00   50
 15  ω    -99.00 -17.00   0.50    3.08    --  -98.80  72.00-150.00  164
 16  ω    -34.00  -9.00   0.50    3.08    --  -98.80  72.00 120.00   50
 17  ω    -36.00  -9.00   0.50    3.08    --  -98.80  72.00  30.00   54
 18  ω   -113.00 -70.00   0.50    3.08    --  -98.80  57.00 150.00   86
 19  ω   -106.00 -40.00   0.50    3.08    --  -98.80  72.00 -30.00  132
 20  ω   -113.00 -59.00   0.50    3.08    --  -98.80  72.00 120.00  108
 21  ω   -133.00 -85.00   0.50    3.08    --  -98.80 -72.00  30.00   96
 22  ω   -109.00 -59.00   0.50    3.08    --  -98.80  72.00  90.00  100
 23  ω   -169.00 -94.00   0.50    3.08    --  -98.80 -72.00 120.00  150
 24  ω   -110.00 -15.00   0.50    3.08    --  -98.80  72.00   0.00  190
 25  ω    -66.00 -37.00   0.50    3.08    --  -98.80  72.00 -90.00   58
 26  ω   -168.00 -95.00   0.50    3.08    --  -98.80 -38.00 150.00  146
 27  ω    -93.00 -59.00   0.50    3.08    --  -98.80  72.00-120.00   68
 28  ω    -77.00 -52.00   0.50    3.08    --  -98.80  72.00  30.00   50
 29  ω   -108.00 -19.00   0.50    3.08    --  -98.80  72.00 -60.00  178
 30  ω   -108.00 -83.00   0.50    3.08    --  -98.80  72.00  60.00   50
 31  ω   -183.00-128.00   0.50    3.08    --  -98.80 -19.00  60.00  110
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0803096000
_diffrn_orient_matrix_UB_12      0.1006827000
_diffrn_orient_matrix_UB_13      0.0004076000
_diffrn_orient_matrix_UB_21      -0.0131819000
_diffrn_orient_matrix_UB_22      -0.1236981000
_diffrn_orient_matrix_UB_23      0.0624308000
_diffrn_orient_matrix_UB_31      0.0758693000
_diffrn_orient_matrix_UB_32      0.0853070000
_diffrn_orient_matrix_UB_33      0.0902734000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3024
_reflns_number_total             3390
_reflns_odcompleteness_completeness 99.97
_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 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_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         0.149
_refine_diff_density_min         -0.235
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         3390
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0341
_refine_ls_restrained_S_all      1.045
_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)+(0.0536P)²+0.4325P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0909
_refine_ls_wR_factor_ref         0.0939
_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.a Aromatic/amide H refined with riding coordinates:
 C004(H004), C006(H006), C00C(H00C), C00G(H00G), C00I(H00I), C00K(H00K),
 C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O), C00P(H00P), C00Q(H00Q),
 C00R(H00R), C00S(H00S)
2.b Idealised Me refined as rotating group:
 C00H(H00A,H00B,H00D), C00J(H00E,H00F,H00H)
;
_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
N001 N 0.18076(6) 0.27191(11) 0.44763(6) 0.0202(2) Uani 1 1 d . . . . .
N002 N 0.70310(7) 0.43606(12) 0.37829(7) 0.0289(2) Uani 1 1 d . . . . .
C003 C 0.26439(7) 0.29216(12) 0.44174(7) 0.0177(2) Uani 1 1 d . . . . .
C004 C 0.42844(7) 0.20303(12) 0.49801(7) 0.0189(2) Uani 1 1 d . . . . .
H004 H 0.479630 0.137486 0.536764 0.023 Uiso 1 1 calc R . . . .
C005 C 0.27229(7) 0.40657(12) 0.38353(7) 0.0174(2) Uani 1 1 d . . . . .
C006 C 0.34386(8) 0.19111(13) 0.49881(7) 0.0196(2) Uani 1 1 d . . . . .
H006 H 0.337378 0.115887 0.537151 0.024 Uiso 1 1 calc R . . . .
C007 C 0.10351(8) 0.49394(12) 0.34358(7) 0.0199(2) Uani 1 1 d . . . . .
C008 C 0.43994(7) 0.31396(12) 0.43894(7) 0.0183(2) Uani 1 1 d . . . . .
C009 C 0.36113(7) 0.41568(12) 0.38053(7) 0.0174(2) Uani 1 1 d . . . . .
C00A C 0.54112(8) 0.42624(13) 0.38013(7) 0.0210(2) Uani 1 1 d . . . . .
C00B C 0.17614(7) 0.15090(13) 0.50807(7) 0.0201(2) Uani 1 1 d . . . . .
C00C C 0.37839(8) 0.52162(12) 0.32112(7) 0.0199(2) Uani 1 1 d . . . . .
H00C H 0.329023 0.589016 0.281047 0.024 Uiso 1 1 calc R . . . .
C00D C 0.10177(7) 0.37482(13) 0.40213(7) 0.0197(2) Uani 1 1 d . . . . .
C00E C 0.18816(7) 0.51958(12) 0.32510(7) 0.0186(2) Uani 1 1 d . . . . .
C00F C 0.63124(8) 0.43214(13) 0.37932(7) 0.0229(2) Uani 1 1 d . . . . .
C00G C 0.46430(8) 0.52760(13) 0.32097(7) 0.0217(2) Uani 1 1 d . . . . .
H00G H 0.472330 0.598875 0.281673 0.026 Uiso 1 1 calc R . . . .
C00H C 0.22101(8) 0.69156(12) 0.35401(8) 0.0213(2) Uani 1 1 d . . . . .
H00A H 0.232161 0.709924 0.417430 0.032 Uiso 1 1 calc GR . . . .
H00B H 0.171624 0.761457 0.310535 0.032 Uiso 1 1 calc GR . . . .
H00D H 0.279595 0.709918 0.351993 0.032 Uiso 1 1 calc GR . . . .
C00I C 0.02151(8) 0.35803(14) 0.41571(8) 0.0239(3) Uani 1 1 d . . . . .
H00I H 0.020635 0.278276 0.454708 0.029 Uiso 1 1 calc R . . . .
C00J C 0.14765(8) 0.49011(13) 0.21731(7) 0.0219(2) Uani 1 1 d . . . . .
H00E H 0.197519 0.508346 0.201152 0.033 Uiso 1 1 calc GR . . . .
H00F H 0.094655 0.560151 0.181458 0.033 Uiso 1 1 calc GR . . . .
H00H H 0.125663 0.383541 0.202447 0.033 Uiso 1 1 calc GR . . . .
C00K C 0.52786(7) 0.32125(13) 0.43767(7) 0.0200(2) Uani 1 1 d . . . . .
H00K H 0.577916 0.253851 0.476440 0.024 Uiso 1 1 calc R . . . .
C00L C 0.14338(8) 0.00284(13) 0.47079(8) 0.0238(3) Uani 1 1 d . . . . .
H00L H 0.124684 -0.018479 0.407445 0.029 Uiso 1 1 calc R . . . .
C00M C -0.05619(8) 0.45883(14) 0.37170(8) 0.0272(3) Uani 1 1 d . . . . .
H00M H -0.108809 0.447204 0.381598 0.033 Uiso 1 1 calc R . . . .
C00N C 0.02322(8) 0.59286(14) 0.29975(8) 0.0259(3) Uani 1 1 d . . . . .
H00N H 0.023113 0.672416 0.260160 0.031 Uiso 1 1 calc R . . . .
C00O C 0.16558(8) -0.08050(14) 0.62269(8) 0.0274(3) Uani 1 1 d . . . . .
H00O H 0.162286 -0.158375 0.661463 0.033 Uiso 1 1 calc R . . . .
C00P C 0.20315(8) 0.18487(13) 0.60193(8) 0.0230(2) Uani 1 1 d . . . . .
H00P H 0.224909 0.284735 0.626390 0.028 Uiso 1 1 calc R . . . .
C00Q C 0.19741(8) 0.06831(14) 0.65910(8) 0.0262(3) Uani 1 1 d . . . . .
H00Q H 0.215019 0.090229 0.722122 0.031 Uiso 1 1 calc R . . . .
C00R C -0.05603(8) 0.57713(14) 0.31290(9) 0.0287(3) Uani 1 1 d . . . . .
H00R H -0.108386 0.644910 0.282744 0.034 Uiso 1 1 calc R . . . .
C00S C 0.13862(9) -0.11383(14) 0.52877(8) 0.0275(3) Uani 1 1 d . . . . .
H00S H 0.117381 -0.213959 0.504505 0.033 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
N001 C003 1.3884(13) . ?
N001 C00B 1.4443(13) . ?
N001 C00D 1.4065(14) . ?
N002 C00F 1.1503(15) . ?
C003 C005 1.4002(15) . ?
C003 C006 1.4289(15) . ?
C004 H004 0.9300 . ?
C004 C006 1.3541(15) . ?
C004 C008 1.4149(15) . ?
C005 C009 1.4378(14) . ?
C005 C00E 1.5379(14) . ?
C006 H006 0.9300 . ?
C007 C00D 1.3948(15) . ?
C007 C00E 1.5290(14) . ?
C007 C00N 1.3973(15) . ?
C008 C009 1.4312(15) . ?
C008 C00K 1.4083(14) . ?
C009 C00C 1.4362(15) . ?
C00A C00F 1.4391(15) . ?
C00A C00G 1.4150(16) . ?
C00A C00K 1.3765(15) . ?
C00B C00L 1.3842(16) . ?
C00B C00P 1.3845(15) . ?
C00C H00C 0.9300 . ?
C00C C00G 1.3670(15) . ?
C00D C00I 1.4028(15) . ?
C00E C00H 1.5484(14) . ?
C00E C00J 1.5477(14) . ?
C00G H00G 0.9300 . ?
C00H H00A 0.9600 . ?
C00H H00B 0.9600 . ?
C00H H00D 0.9600 . ?
C00I H00I 0.9300 . ?
C00I C00M 1.3804(16) . ?
C00J H00E 0.9600 . ?
C00J H00F 0.9600 . ?
C00J H00H 0.9600 . ?
C00K H00K 0.9300 . ?
C00L H00L 0.9300 . ?
C00L C00S 1.3910(16) . ?
C00M H00M 0.9300 . ?
C00M C00R 1.3837(17) . ?
C00N H00N 0.9300 . ?
C00N C00R 1.3820(16) . ?
C00O H00O 0.9300 . ?
C00O C00Q 1.3842(17) . ?
C00O C00S 1.3845(17) . ?
C00P H00P 0.9300 . ?
C00P C00Q 1.3873(16) . ?
C00Q H00Q 0.9300 . ?
C00R H00R 0.9300 . ?
C00S H00S 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
C003 N001 C00B 120.09(8) . . ?
C003 N001 C00D 121.75(9) . . ?
C00D N001 C00B 117.96(8) . . ?
N001 C003 C005 122.36(9) . . ?
N001 C003 C006 117.03(9) . . ?
C005 C003 C006 120.60(10) . . ?
C006 C004 H004 119.6 . . ?
C006 C004 C008 120.84(9) . . ?
C008 C004 H004 119.6 . . ?
C003 C005 C009 118.16(9) . . ?
C003 C005 C00E 120.60(9) . . ?
C009 C005 C00E 121.24(9) . . ?
C003 C006 H006 119.4 . . ?
C004 C006 C003 121.10(10) . . ?
C004 C006 H006 119.4 . . ?
C00D C007 C00E 123.13(9) . . ?
C00D C007 C00N 117.69(10) . . ?
C00N C007 C00E 119.18(9) . . ?
C004 C008 C009 119.11(9) . . ?
C00K C008 C004 119.69(9) . . ?
C00K C008 C009 121.20(9) . . ?
C008 C009 C005 120.14(9) . . ?
C008 C009 C00C 115.28(9) . . ?
C00C C009 C005 124.58(9) . . ?
C00G C00A C00F 120.39(10) . . ?
C00K C00A C00F 120.68(10) . . ?
C00K C00A C00G 118.92(10) . . ?
C00L C00B N001 119.39(9) . . ?
C00L C00B C00P 120.89(10) . . ?
C00P C00B N001 119.72(10) . . ?
C009 C00C H00C 118.6 . . ?
C00G C00C C009 122.79(10) . . ?
C00G C00C H00C 118.6 . . ?
C007 C00D N001 119.83(9) . . ?
C007 C00D C00I 120.03(10) . . ?
C00I C00D N001 120.14(10) . . ?
C005 C00E C00H 110.17(8) . . ?
C005 C00E C00J 110.08(8) . . ?
C007 C00E C005 112.02(8) . . ?
C007 C00E C00H 105.99(8) . . ?
C007 C00E C00J 105.88(8) . . ?
C00J C00E C00H 112.60(8) . . ?
N002 C00F C00A 179.57(12) . . ?
C00A C00G H00G 119.7 . . ?
C00C C00G C00A 120.55(10) . . ?
C00C C00G H00G 119.7 . . ?
C00E C00H H00A 109.5 . . ?
C00E C00H H00B 109.5 . . ?
C00E C00H H00D 109.5 . . ?
H00A C00H H00B 109.5 . . ?
H00A C00H H00D 109.5 . . ?
H00B C00H H00D 109.5 . . ?
C00D C00I H00I 119.7 . . ?
C00M C00I C00D 120.58(10) . . ?
C00M C00I H00I 119.7 . . ?
C00E C00J H00E 109.5 . . ?
C00E C00J H00F 109.5 . . ?
C00E C00J H00H 109.5 . . ?
H00E C00J H00F 109.5 . . ?
H00E C00J H00H 109.5 . . ?
H00F C00J H00H 109.5 . . ?
C008 C00K H00K 119.4 . . ?
C00A C00K C008 121.25(10) . . ?
C00A C00K H00K 119.4 . . ?
C00B C00L H00L 120.2 . . ?
C00B C00L C00S 119.52(10) . . ?
C00S C00L H00L 120.2 . . ?
C00I C00M H00M 119.9 . . ?
C00I C00M C00R 120.22(11) . . ?
C00R C00M H00M 119.9 . . ?
C007 C00N H00N 118.7 . . ?
C00R C00N C007 122.59(10) . . ?
C00R C00N H00N 118.7 . . ?
C00Q C00O H00O 119.9 . . ?
C00Q C00O C00S 120.24(11) . . ?
C00S C00O H00O 119.9 . . ?
C00B C00P H00P 120.4 . . ?
C00B C00P C00Q 119.27(11) . . ?
C00Q C00P H00P 120.4 . . ?
C00O C00Q C00P 120.25(10) . . ?
C00O C00Q H00Q 119.9 . . ?
C00P C00Q H00Q 119.9 . . ?
C00M C00R H00R 120.6 . . ?
C00N C00R C00M 118.88(10) . . ?
C00N C00R H00R 120.6 . . ?
C00L C00S H00S 120.1 . . ?
C00O C00S C00L 119.82(11) . . ?
C00O C00S H00S 120.1 . . ?

_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 1.494
_oxdiff_exptl_absorpt_empirical_full_min 0.501
####################################################################### 
# 
# 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_acpphcn
_database_code_depnum_ccdc_archive 'CCDC 2042752'
loop_
_audit_author_name
_audit_author_address
'Xu Qiu'
;South China University of Technology
China
;
_audit_update_record             
;
2020-11-06 deposited with the CCDC.	2021-09-13 downloaded from the CCDC.
;
_audit_creation_date             2018-08-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H24 N2'
_chemical_formula_sum            'C32 H24 N2'
_chemical_formula_weight         436.53
_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'
N N 0.0311 0.0180 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   33.6072(7)
_cell_length_b                   7.93808(16)
_cell_length_c                   16.8859(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.9277(19)
_cell_angle_gamma                90
_cell_volume                     4407.48(15)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6490
_cell_measurement_temperature    100.0(6)
_cell_measurement_theta_max      73.2830
_cell_measurement_theta_min      4.1890
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.588
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.44a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10203
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.079
_diffrn_reflns_theta_max         67.079
_diffrn_reflns_theta_min         2.688
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.0(6)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00   6.00   0.50    1.40    --    0.00 -72.00-180.00   50
  2  ω    -14.00  54.00   0.50    1.40    --    0.00  57.00 -60.00  136
  3  ω    -79.00 -53.00   0.50    1.40    --    0.00 -72.00-180.00   52
  4  ω    -83.00  -5.00   0.50    1.40    --    0.00 -38.00  60.00  156
  5  ω   -110.00 -15.00   0.50    5.61    --  -98.80  57.00   0.00  190
  6  ω    -81.00 -36.00   0.50    5.61    --  -98.80  72.00   0.00   90
  7  ω   -105.00 -34.00   0.50    5.61    --  -98.80  19.00-180.00  142
  8  ω    -55.00  -9.00   0.50    5.61    --  -98.80  38.00   0.00   92
  9  ω   -112.00 -60.00   0.50    5.61    --  -98.80  38.00   0.00  104
 10  ω   -157.00 -85.00   0.50    5.61    --  -98.80 -72.00-120.00  144
 11  ω   -180.00-155.00   0.50    5.61    --  -98.80 -38.00   0.00   50
 12  ω    -45.00 -10.00   0.50    5.61    --  -98.80  38.00  30.00   70
 13  ω   -180.00 -50.00   0.50    5.61    --  -98.80   0.00 -90.00  260
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0339399000
_diffrn_orient_matrix_UB_12      -0.1103839000
_diffrn_orient_matrix_UB_13      0.0493321000
_diffrn_orient_matrix_UB_21      0.0322053000
_diffrn_orient_matrix_UB_22      0.1223587000
_diffrn_orient_matrix_UB_23      -0.0194575000
_diffrn_orient_matrix_UB_31      -0.0018196000
_diffrn_orient_matrix_UB_32      0.1025367000
_diffrn_orient_matrix_UB_33      0.0767877000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Cu) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3550
_reflns_number_total             3948
_reflns_odcompleteness_completeness 99.95
_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 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.44a (Rigaku OD, 2018)'
_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         0.187
_refine_diff_density_min         -0.214
_refine_diff_density_rms         0.041
_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     309
_refine_ls_number_reflns         3948
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0338
_refine_ls_restrained_S_all      1.039
_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)+(0.0517P)²+2.3809P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0914
_refine_ls_wR_factor_ref         0.0940
_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.a Aromatic/amide H refined with riding coordinates:
 C008(H008), C00B(H00B), C00D(H00D), C00I(H00I), C00J(H00J), C00K(H00K),
 C00M(H00M), C00N(H00N), C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S),
 C00T(H00T), C00U(H00U), C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y)
2.b Idealised Me refined as rotating group:
 C00E(H00A,H00C,H00E), C00O(H00F,H00G,H00H)
;
_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
N001 N 0.40023(3) 0.45750(12) 0.27429(5) 0.0182(2) Uani 1 1 d . . . . .
N002 N 0.07085(3) 0.72501(13) 0.58159(6) 0.0255(2) Uani 1 1 d . . . . .
C003 C 0.23286(3) 0.63745(13) 0.39288(6) 0.0161(2) Uani 1 1 d . . . . .
C004 C 0.13292(3) 0.68932(14) 0.51416(6) 0.0179(2) Uani 1 1 d . . . . .
C005 C 0.19863(3) 0.65626(13) 0.43534(6) 0.0161(2) Uani 1 1 d . . . . .
C006 C 0.34047(3) 0.71589(13) 0.20524(6) 0.0161(2) Uani 1 1 d . . . . .
C007 C 0.09881(3) 0.70802(14) 0.55290(6) 0.0201(2) Uani 1 1 d . . . . .
C008 C 0.19877(3) 0.57641(14) 0.50966(6) 0.0176(2) Uani 1 1 d . . . . .
H008 H 0.221215 0.512261 0.533531 0.021 Uiso 1 1 calc R . . . .
C009 C 0.30011(3) 0.60949(13) 0.31018(6) 0.0156(2) Uani 1 1 d . . . . .
C00A C 0.36469(3) 0.47613(14) 0.30432(6) 0.0167(2) Uani 1 1 d . . . . .
C00B C 0.16650(3) 0.59068(14) 0.54816(6) 0.0185(2) Uani 1 1 d . . . . .
H00B H 0.167121 0.534591 0.596751 0.022 Uiso 1 1 calc R . . . .
C00C C 0.29644(3) 0.50354(13) 0.37680(6) 0.0166(2) Uani 1 1 d . . . . .
C00D C 0.26732(3) 0.72569(14) 0.28595(6) 0.0175(2) Uani 1 1 d . . . . .
H00D H 0.267577 0.795423 0.241800 0.021 Uiso 1 1 calc R . . . .
C00E C 0.30587(3) 0.68931(14) 0.12970(6) 0.0172(2) Uani 1 1 d . . . . .
H00A H 0.309714 0.583518 0.104776 0.026 Uiso 1 1 calc GR . . . .
H00C H 0.306399 0.778968 0.091781 0.026 Uiso 1 1 calc GR . . . .
H00E H 0.280108 0.689017 0.145851 0.026 Uiso 1 1 calc GR . . . .
C00F C 0.33505(3) 0.59614(13) 0.27374(6) 0.0159(2) Uani 1 1 d . . . . .
C00G C 0.43028(3) 0.33409(14) 0.30954(7) 0.0187(2) Uani 1 1 d . . . . .
C00H C 0.40881(3) 0.56302(14) 0.21322(6) 0.0176(2) Uani 1 1 d . . . . .
C00I C 0.26353(3) 0.52086(14) 0.41617(6) 0.0168(2) Uani 1 1 d . . . . .
H00I H 0.262443 0.450649 0.459759 0.020 Uiso 1 1 calc R . . . .
C00J C 0.35951(3) 0.36660(14) 0.36824(7) 0.0194(2) Uani 1 1 d . . . . .
H00J H 0.378863 0.283829 0.386193 0.023 Uiso 1 1 calc R . . . .
C00K C 0.13221(3) 0.77196(14) 0.44109(7) 0.0197(2) Uani 1 1 d . . . . .
H00K H 0.110157 0.839392 0.418452 0.024 Uiso 1 1 calc R . . . .
C00L C 0.38048(3) 0.68397(14) 0.17768(6) 0.0171(2) Uani 1 1 d . . . . .
C00M C 0.38961(3) 0.78132(14) 0.11489(7) 0.0202(2) Uani 1 1 d . . . . .
H00M H 0.370844 0.861429 0.090436 0.024 Uiso 1 1 calc R . . . .
C00N C 0.23570(3) 0.73850(14) 0.32489(6) 0.0174(2) Uani 1 1 d . . . . .
H00N H 0.215235 0.816344 0.306196 0.021 Uiso 1 1 calc R . . . .
C00O C 0.34301(3) 0.89988(13) 0.23626(6) 0.0178(2) Uani 1 1 d . . . . .
H00F H 0.346752 0.974315 0.193585 0.027 Uiso 1 1 calc GR . . . .
H00G H 0.365560 0.910942 0.281261 0.027 Uiso 1 1 calc GR . . . .
H00H H 0.318281 0.928500 0.253158 0.027 Uiso 1 1 calc GR . . . .
C00P C 0.44554(3) 0.54615(15) 0.18681(7) 0.0213(2) Uani 1 1 d . . . . .
H00P H 0.464627 0.467310 0.211336 0.026 Uiso 1 1 calc R . . . .
C00Q C 0.43172(3) 0.18021(15) 0.27142(7) 0.0225(3) Uani 1 1 d . . . . .
H00Q H 0.413467 0.156821 0.223306 0.027 Uiso 1 1 calc R . . . .
C00R C 0.32685(3) 0.38098(14) 0.40337(6) 0.0189(2) Uani 1 1 d . . . . .
H00R H 0.324388 0.309138 0.445606 0.023 Uiso 1 1 calc R . . . .
C00S C 0.16436(3) 0.75349(14) 0.40233(6) 0.0182(2) Uani 1 1 d . . . . .
H00S H 0.163248 0.807067 0.352939 0.022 Uiso 1 1 calc R . . . .
C00T C 0.42541(3) 0.76331(15) 0.08765(7) 0.0231(3) Uani 1 1 d . . . . .
H00T H 0.430481 0.829028 0.045219 0.028 Uiso 1 1 calc R . . . .
C00U C 0.45747(3) 0.37077(15) 0.38092(7) 0.0228(3) Uani 1 1 d . . . . .
H00U H 0.456514 0.474451 0.406111 0.027 Uiso 1 1 calc R . . . .
C00V C 0.45370(3) 0.64523(15) 0.12481(7) 0.0236(3) Uani 1 1 d . . . . .
H00V H 0.478183 0.632856 0.107926 0.028 Uiso 1 1 calc R . . . .
C00W C 0.48624(4) 0.25094(17) 0.41457(8) 0.0291(3) Uani 1 1 d . . . . .
H00W H 0.504580 0.274333 0.462571 0.035 Uiso 1 1 calc R . . . .
C00X C 0.46049(4) 0.06120(16) 0.30526(8) 0.0286(3) Uani 1 1 d . . . . .
H00X H 0.461545 -0.042309 0.279976 0.034 Uiso 1 1 calc R . . . .
C00Y C 0.48761(4) 0.09712(17) 0.37681(8) 0.0318(3) Uani 1 1 d . . . . .
H00Y H 0.506859 0.017344 0.399602 0.038 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
N001 C00A 1.3985(13) . ?
N001 C00G 1.4441(14) . ?
N001 C00H 1.4040(14) . ?
N002 C007 1.1505(14) . ?
C003 C005 1.4834(14) . ?
C003 C00I 1.3807(15) . ?
C003 C00N 1.4198(15) . ?
C004 C007 1.4402(15) . ?
C004 C00B 1.3960(15) . ?
C004 C00K 1.3933(16) . ?
C005 C008 1.4051(15) . ?
C005 C00S 1.4026(15) . ?
C006 C00E 1.5525(14) . ?
C006 C00F 1.5368(14) . ?
C006 C00L 1.5321(14) . ?
C006 C00O 1.5480(14) . ?
C008 C00B 1.3795(15) . ?
C009 C00C 1.4302(15) . ?
C009 C00D 1.4303(15) . ?
C009 C00F 1.4379(14) . ?
C00A C00F 1.3978(15) . ?
C00A C00J 1.4244(15) . ?
C00C C00I 1.4097(15) . ?
C00C C00R 1.4152(15) . ?
C00D C00N 1.3642(15) . ?
C00G C00Q 1.3863(16) . ?
C00G C00U 1.3847(16) . ?
C00H C00L 1.3973(15) . ?
C00H C00P 1.4028(15) . ?
C00J C00R 1.3563(15) . ?
C00K C00S 1.3819(15) . ?
C00L C00M 1.3964(15) . ?
C00M C00T 1.3815(15) . ?
C00P C00V 1.3815(16) . ?
C00Q C00X 1.3875(17) . ?
C00T C00V 1.3891(17) . ?
C00U C00W 1.3911(17) . ?
C00W C00Y 1.383(2) . ?
C00X C00Y 1.3844(19) . ?

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
C00A N001 C00G 119.95(9) . . ?
C00A N001 C00H 121.58(9) . . ?
C00H N001 C00G 118.37(8) . . ?
C00I C003 C005 122.53(9) . . ?
C00I C003 C00N 115.97(10) . . ?
C00N C003 C005 121.49(10) . . ?
C00B C004 C007 121.52(10) . . ?
C00K C004 C007 118.97(10) . . ?
C00K C004 C00B 119.51(10) . . ?
C008 C005 C003 121.76(9) . . ?
C00S C005 C003 121.22(9) . . ?
C00S C005 C008 117.01(10) . . ?
C00F C006 C00E 110.44(8) . . ?
C00F C006 C00O 109.62(8) . . ?
C00L C006 C00E 106.45(8) . . ?
C00L C006 C00F 111.98(9) . . ?
C00L C006 C00O 105.57(8) . . ?
C00O C006 C00E 112.69(9) . . ?
N002 C007 C004 177.82(12) . . ?
C00B C008 C005 121.73(10) . . ?
C00C C009 C00F 120.28(9) . . ?
C00D C009 C00C 114.68(9) . . ?
C00D C009 C00F 125.03(9) . . ?
N001 C00A C00J 117.22(9) . . ?
C00F C00A N001 122.34(9) . . ?
C00F C00A C00J 120.44(10) . . ?
C008 C00B C004 119.99(10) . . ?
C00I C00C C009 121.15(10) . . ?
C00I C00C C00R 120.19(10) . . ?
C00R C00C C009 118.66(10) . . ?
C00N C00D C009 122.75(10) . . ?
C009 C00F C006 120.72(9) . . ?
C00A C00F C006 120.89(9) . . ?
C00A C00F C009 118.35(9) . . ?
C00Q C00G N001 119.66(10) . . ?
C00U C00G N001 119.71(10) . . ?
C00U C00G C00Q 120.62(10) . . ?
C00L C00H N001 120.01(9) . . ?
C00L C00H C00P 119.69(10) . . ?
C00P C00H N001 120.29(10) . . ?
C003 C00I C00C 122.91(10) . . ?
C00R C00J C00A 121.12(10) . . ?
C00S C00K C004 119.84(10) . . ?
C00H C00L C006 123.10(9) . . ?
C00M C00L C006 118.91(10) . . ?
C00M C00L C00H 117.98(10) . . ?
C00T C00M C00L 122.59(10) . . ?
C00D C00N C003 122.47(10) . . ?
C00V C00P C00H 120.81(10) . . ?
C00G C00Q C00X 119.80(11) . . ?
C00J C00R C00C 121.06(10) . . ?
C00K C00S C005 121.89(10) . . ?
C00M C00T C00V 118.77(10) . . ?
C00G C00U C00W 119.31(11) . . ?
C00P C00V C00T 120.13(10) . . ?
C00Y C00W C00U 120.14(12) . . ?
C00Y C00X C00Q 119.74(12) . . ?
C00W C00Y C00X 120.38(11) . . ?

_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 1.238
_oxdiff_exptl_absorpt_empirical_full_min 0.699
