# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1943981'
loop_
_audit_author_name
_audit_author_address
PXZ-PQM
;Jilin university
China
;
_audit_update_record             
;
2019-07-30 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C33 H21 N3 O2'
_chemical_formula_sum            'C33 H21 N3 O2'
_chemical_formula_weight         491.53

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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   20.1020(15)
_cell_length_b                   13.4448(10)
_cell_length_c                   8.9583(6)
_cell_angle_alpha                90
_cell_angle_beta                 98.084(3)
_cell_angle_gamma                90
_cell_volume                     2397.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9041
_cell_measurement_theta_min      2.8208
_cell_measurement_theta_max      30.5046

_exptl_crystal_description       sheet
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_F_000             1024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.005
_exptl_absorpt_coefficient_mu    0.086
_shelx_estimated_absorpt_T_min   0.975
_shelx_estimated_absorpt_T_max   1.000
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            59642
_diffrn_reflns_av_unetI/netI     0.0217
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.821
_diffrn_reflns_theta_max         25.998
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4697
_reflns_number_gt                3889
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4697
_refine_ls_number_parameters     343
_refine_ls_number_restraints     585
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0406
_refine_ls_wR_factor_ref         0.1297
_refine_ls_wR_factor_gt          0.1203
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      0.948
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
O1 O 0.43229(5) 0.38458(7) 1.27615(10) 0.0213(2) Uani 1 1 d . U . . .
N1 N 0.49439(6) 0.39248(8) 0.64896(12) 0.0157(3) Uani 1 1 d . U . . .
N2 N 0.83651(6) 0.50357(9) 0.34353(13) 0.0208(3) Uani 1 1 d . U . . .
N3 N 0.62974(5) 0.37604(8) 0.78690(12) 0.0149(2) Uani 1 1 d . U . . .
O2 O 0.94724(5) 0.55261(9) 0.19944(12) 0.0305(3) Uani 1 1 d . U . . .
C1 C 0.21232(7) 0.30917(11) 0.96447(16) 0.0247(3) Uani 1 1 d . U . . .
H1 H 0.166495 0.297885 0.925597 0.030 Uiso 1 1 calc R U . . .
C2 C 0.22996(7) 0.38828(10) 1.06153(16) 0.0208(3) Uani 1 1 d . U . . .
H12 H 0.196276 0.431544 1.088680 0.025 Uiso 1 1 calc R U . . .
C3 C 0.29684(7) 0.40403(10) 1.11876(15) 0.0171(3) Uani 1 1 d . U . . .
H9 H 0.308711 0.457212 1.187155 0.021 Uiso 1 1 calc R U . . .
C4 C 0.34689(7) 0.34236(10) 1.07670(14) 0.0152(3) Uani 1 1 d . U . . .
C5 C 0.41802(7) 0.36216(9) 1.14324(14) 0.0155(3) Uani 1 1 d . U . . .
C6 C 0.47221(7) 0.35829(9) 1.04372(14) 0.0153(3) Uani 1 1 d . U . . .
C7 C 0.45772(7) 0.37108(9) 0.89028(15) 0.0154(3) Uani 1 1 d . U . . .
H6 H 0.412291 0.376166 0.844292 0.019 Uiso 1 1 calc R U . . .
C8 C 0.51012(6) 0.37667(9) 0.80078(14) 0.0141(3) Uani 1 1 d . U . . .
C9 C 0.54520(7) 0.40325(9) 0.57314(15) 0.0156(3) Uani 1 1 d . U . . .
H13 H 0.536116 0.415145 0.467707 0.019 Uiso 1 1 calc R U . . .
C10 C 0.61383(7) 0.39783(9) 0.64252(14) 0.0146(3) Uani 1 1 d . U . . .
C11 C 0.67019(7) 0.42073(10) 0.55692(14) 0.0152(3) Uani 1 1 d . U . . .
C12 C 0.73361(7) 0.38018(11) 0.60366(16) 0.0205(3) Uani 1 1 d . U . . .
H5 H 0.739559 0.333945 0.684631 0.025 Uiso 1 1 calc R U . . .
C13 C 0.78803(7) 0.40688(11) 0.53275(16) 0.0218(3) Uani 1 1 d . U . . .
H16 H 0.830850 0.377997 0.564051 0.026 Uiso 1 1 calc R U . . .
C14 C 0.78003(7) 0.47566(10) 0.41626(15) 0.0188(3) Uani 1 1 d . U . . .
C15 C 0.84611(7) 0.45554(10) 0.20932(15) 0.0192(3) Uani 1 1 d . U . . .
C16 C 0.90215(7) 0.48007(11) 0.13978(16) 0.0229(3) Uani 1 1 d . U . . .
C17 C 0.91270(8) 0.43595(13) 0.00580(17) 0.0285(4) Uani 1 1 d . U . . .
H17 H 0.951548 0.452324 -0.038445 0.034 Uiso 1 1 calc R U . . .
C18 C 0.86672(8) 0.36783(13) -0.06428(17) 0.0293(4) Uani 1 1 d . U . . .
H2 H 0.873568 0.338352 -0.157291 0.035 Uiso 1 1 calc R U . . .
C19 C 0.99932(8) 0.66760(12) 0.5656(2) 0.0333(4) Uani 1 1 d . U . . .
H3 H 1.036110 0.705384 0.613979 0.040 Uiso 1 1 calc R U . . .
C20 C 0.94588(8) 0.64479(12) 0.64166(19) 0.0308(4) Uani 1 1 d . U . . .
H21 H 0.946071 0.666558 0.742610 0.037 Uiso 1 1 calc R U . . .
C21 C 0.89180(7) 0.58988(11) 0.56998(17) 0.0248(3) Uani 1 1 d . U . . .
H4 H 0.855260 0.574553 0.622699 0.030 Uiso 1 1 calc R U . . .
C22 C 0.89061(7) 0.55741(10) 0.42308(16) 0.0195(3) Uani 1 1 d . U . . .
C23 C 0.54034(7) 0.34935(10) 1.11216(15) 0.0163(3) Uani 1 1 d . U . . .
H8 H 0.550179 0.341811 1.218412 0.020 Uiso 1 1 calc R U . . .
C24 C 0.59186(7) 0.35144(10) 1.02711(15) 0.0173(3) Uani 1 1 d . U . . .
H7 H 0.636929 0.342806 1.073753 0.021 Uiso 1 1 calc R U . . .
C25 C 0.57766(7) 0.36657(9) 0.86898(15) 0.0144(3) Uani 1 1 d . U . . .
C26 C 0.26172(8) 0.24668(12) 0.92441(17) 0.0275(4) Uani 1 1 d . U . . .
H11 H 0.249373 0.191837 0.859538 0.033 Uiso 1 1 calc R U . . .
C27 C 0.32908(7) 0.26325(11) 0.97796(16) 0.0215(3) Uani 1 1 d . U . . .
H10 H 0.362727 0.221182 0.947706 0.026 Uiso 1 1 calc R U . . .
C28 C 0.66229(7) 0.48860(11) 0.43792(16) 0.0204(3) Uani 1 1 d . U . . .
H14 H 0.619222 0.515967 0.404209 0.024 Uiso 1 1 calc R U . . .
C29 C 0.71712(7) 0.51648(11) 0.36827(16) 0.0215(3) Uani 1 1 d . U . . .
H15 H 0.711557 0.563312 0.288073 0.026 Uiso 1 1 calc R U . . .
C30 C 0.80136(7) 0.38556(11) 0.13899(16) 0.0218(3) Uani 1 1 d . U . . .
H20 H 0.763613 0.366419 0.185281 0.026 Uiso 1 1 calc R U . . .
C31 C 0.81087(8) 0.34308(12) 0.00203(17) 0.0264(3) Uani 1 1 d . U . . .
H19 H 0.778969 0.297018 -0.046006 0.032 Uiso 1 1 calc R U . . .
C32 C 0.94537(7) 0.58056(11) 0.34824(17) 0.0230(3) Uani 1 1 d . U . . .
C33 C 0.99889(8) 0.63498(12) 0.41847(19) 0.0299(4) Uani 1 1 d . U . . .
H18 H 1.035553 0.650214 0.366100 0.036 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C5 1.2226(16) . ?
N1 C9 1.3117(17) . ?
N1 C8 1.3690(17) . ?
N2 C15 1.4017(18) . ?
N2 C22 1.4131(18) . ?
N2 C14 1.4360(16) . ?
N3 C10 1.3208(17) . ?
N3 C25 1.3673(16) . ?
O2 C16 1.3865(18) . ?
O2 C32 1.3906(18) . ?
C1 C26 1.386(2) . ?
C1 C2 1.388(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.386(2) . ?
C2 H12 0.9500 . ?
C3 C4 1.3957(19) . ?
C3 H9 0.9500 . ?
C4 C27 1.3974(19) . ?
C4 C5 1.4937(19) . ?
C5 C6 1.5024(17) . ?
C6 C7 1.3751(18) . ?
C6 C23 1.4247(19) . ?
C7 C8 1.4127(18) . ?
C7 H6 0.9500 . ?
C8 C25 1.4147(19) . ?
C9 C10 1.4331(19) . ?
C9 H13 0.9500 . ?
C10 C11 1.4868(18) . ?
C11 C28 1.3952(19) . ?
C11 C12 1.3957(19) . ?
C12 C13 1.3873(19) . ?
C12 H5 0.9500 . ?
C13 C14 1.387(2) . ?
C13 H16 0.9500 . ?
C14 C29 1.390(2) . ?
C15 C30 1.390(2) . ?
C15 C16 1.4012(19) . ?
C16 C17 1.382(2) . ?
C17 C18 1.387(2) . ?
C17 H17 0.9500 . ?
C18 C31 1.383(2) . ?
C18 H2 0.9500 . ?
C19 C20 1.385(2) . ?
C19 C33 1.388(2) . ?
C19 H3 0.9500 . ?
C20 C21 1.394(2) . ?
C20 H21 0.9500 . ?
C21 C22 1.384(2) . ?
C21 H4 0.9500 . ?
C22 C32 1.4019(19) . ?
C23 C24 1.3696(19) . ?
C23 H8 0.9500 . ?
C24 C25 1.4198(19) . ?
C24 H7 0.9500 . ?
C26 C27 1.389(2) . ?
C26 H11 0.9500 . ?
C27 H10 0.9500 . ?
C28 C29 1.3922(18) . ?
C28 H14 0.9500 . ?
C29 H15 0.9500 . ?
C30 C31 1.391(2) . ?
C30 H20 0.9500 . ?
C31 H19 0.9500 . ?
C32 C33 1.378(2) . ?
C33 H18 0.9500 . ?

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
C9 N1 C8 116.34(11) . . ?
C15 N2 C22 118.66(11) . . ?
C15 N2 C14 118.80(11) . . ?
C22 N2 C14 120.43(11) . . ?
C10 N3 C25 116.68(11) . . ?
C16 O2 C32 117.08(11) . . ?
C26 C1 C2 119.83(14) . . ?
C26 C1 H1 120.1 . . ?
C2 C1 H1 120.1 . . ?
C3 C2 C1 119.87(13) . . ?
C3 C2 H12 120.1 . . ?
C1 C2 H12 120.1 . . ?
C2 C3 C4 120.52(12) . . ?
C2 C3 H9 119.7 . . ?
C4 C3 H9 119.7 . . ?
C3 C4 C27 119.53(13) . . ?
C3 C4 C5 118.18(12) . . ?
C27 C4 C5 122.27(12) . . ?
O1 C5 C4 120.86(12) . . ?
O1 C5 C6 119.74(12) . . ?
C4 C5 C6 119.36(11) . . ?
C7 C6 C23 119.76(12) . . ?
C7 C6 C5 121.30(12) . . ?
C23 C6 C5 118.74(11) . . ?
C6 C7 C8 120.26(12) . . ?
C6 C7 H6 119.9 . . ?
C8 C7 H6 119.9 . . ?
N1 C8 C7 119.06(12) . . ?
N1 C8 C25 121.16(12) . . ?
C7 C8 C25 119.78(12) . . ?
N1 C9 C10 122.82(12) . . ?
N1 C9 H13 118.6 . . ?
C10 C9 H13 118.6 . . ?
N3 C10 C9 121.45(12) . . ?
N3 C10 C11 116.99(12) . . ?
C9 C10 C11 121.51(12) . . ?
C28 C11 C12 119.06(12) . . ?
C28 C11 C10 121.09(12) . . ?
C12 C11 C10 119.64(12) . . ?
C13 C12 C11 120.49(13) . . ?
C13 C12 H5 119.8 . . ?
C11 C12 H5 119.8 . . ?
C14 C13 C12 120.12(13) . . ?
C14 C13 H16 119.9 . . ?
C12 C13 H16 119.9 . . ?
C13 C14 C29 120.01(12) . . ?
C13 C14 N2 120.02(13) . . ?
C29 C14 N2 119.96(13) . . ?
C30 C15 C16 117.86(13) . . ?
C30 C15 N2 122.84(12) . . ?
C16 C15 N2 119.28(13) . . ?
C17 C16 O2 117.70(13) . . ?
C17 C16 C15 121.09(14) . . ?
O2 C16 C15 121.14(13) . . ?
C16 C17 C18 120.18(14) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C31 C18 C17 119.61(14) . . ?
C31 C18 H2 120.2 . . ?
C17 C18 H2 120.2 . . ?
C20 C19 C33 119.70(15) . . ?
C20 C19 H3 120.2 . . ?
C33 C19 H3 120.2 . . ?
C19 C20 C21 119.96(15) . . ?
C19 C20 H21 120.0 . . ?
C21 C20 H21 120.0 . . ?
C22 C21 C20 120.88(14) . . ?
C22 C21 H4 119.6 . . ?
C20 C21 H4 119.6 . . ?
C21 C22 C32 118.37(13) . . ?
C21 C22 N2 123.40(13) . . ?
C32 C22 N2 118.22(13) . . ?
C24 C23 C6 121.01(12) . . ?
C24 C23 H8 119.5 . . ?
C6 C23 H8 119.5 . . ?
C23 C24 C25 119.76(12) . . ?
C23 C24 H7 120.1 . . ?
C25 C24 H7 120.1 . . ?
N3 C25 C8 121.31(12) . . ?
N3 C25 C24 119.22(12) . . ?
C8 C25 C24 119.38(12) . . ?
C1 C26 C27 120.82(14) . . ?
C1 C26 H11 119.6 . . ?
C27 C26 H11 119.6 . . ?
C26 C27 C4 119.41(13) . . ?
C26 C27 H10 120.3 . . ?
C4 C27 H10 120.3 . . ?
C29 C28 C11 120.42(13) . . ?
C29 C28 H14 119.8 . . ?
C11 C28 H14 119.8 . . ?
C14 C29 C28 119.89(13) . . ?
C14 C29 H15 120.1 . . ?
C28 C29 H15 120.1 . . ?
C15 C30 C31 121.16(14) . . ?
C15 C30 H20 119.4 . . ?
C31 C30 H20 119.4 . . ?
C18 C31 C30 120.06(15) . . ?
C18 C31 H19 120.0 . . ?
C30 C31 H19 120.0 . . ?
C33 C32 O2 117.16(13) . . ?
C33 C32 C22 120.98(14) . . ?
O2 C32 C22 121.83(13) . . ?
C32 C33 C19 120.10(14) . . ?
C32 C33 H18 119.9 . . ?
C19 C33 H18 119.9 . . ?

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
C26 C1 C2 C3 -0.4(2) . . . . ?
C1 C2 C3 C4 1.6(2) . . . . ?
C2 C3 C4 C27 -1.0(2) . . . . ?
C2 C3 C4 C5 -179.34(12) . . . . ?
C3 C4 C5 O1 40.85(18) . . . . ?
C27 C4 C5 O1 -137.42(14) . . . . ?
C3 C4 C5 C6 -136.73(13) . . . . ?
C27 C4 C5 C6 45.00(18) . . . . ?
O1 C5 C6 C7 -155.03(13) . . . . ?
C4 C5 C6 C7 22.58(18) . . . . ?
O1 C5 C6 C23 19.77(19) . . . . ?
C4 C5 C6 C23 -162.62(12) . . . . ?
C23 C6 C7 C8 -0.84(19) . . . . ?
C5 C6 C7 C8 173.91(12) . . . . ?
C9 N1 C8 C7 175.84(11) . . . . ?
C9 N1 C8 C25 -3.73(18) . . . . ?
C6 C7 C8 N1 -178.00(12) . . . . ?
C6 C7 C8 C25 1.58(19) . . . . ?
C8 N1 C9 C10 0.75(19) . . . . ?
C25 N3 C10 C9 -4.90(18) . . . . ?
C25 N3 C10 C11 172.54(11) . . . . ?
N1 C9 C10 N3 3.8(2) . . . . ?
N1 C9 C10 C11 -173.53(12) . . . . ?
N3 C10 C11 C28 -147.66(13) . . . . ?
C9 C10 C11 C28 29.77(19) . . . . ?
N3 C10 C11 C12 27.01(18) . . . . ?
C9 C10 C11 C12 -155.55(13) . . . . ?
C28 C11 C12 C13 -0.1(2) . . . . ?
C10 C11 C12 C13 -174.84(13) . . . . ?
C11 C12 C13 C14 1.2(2) . . . . ?
C12 C13 C14 C29 -1.3(2) . . . . ?
C12 C13 C14 N2 179.69(13) . . . . ?
C15 N2 C14 C13 96.20(16) . . . . ?
C22 N2 C14 C13 -67.07(18) . . . . ?
C15 N2 C14 C29 -82.81(17) . . . . ?
C22 N2 C14 C29 113.93(15) . . . . ?
C22 N2 C15 C30 167.03(13) . . . . ?
C14 N2 C15 C30 3.5(2) . . . . ?
C22 N2 C15 C16 -14.55(19) . . . . ?
C14 N2 C15 C16 -178.11(12) . . . . ?
C32 O2 C16 C17 -166.11(13) . . . . ?
C32 O2 C16 C15 16.73(19) . . . . ?
C30 C15 C16 C17 -0.2(2) . . . . ?
N2 C15 C16 C17 -178.65(13) . . . . ?
C30 C15 C16 O2 176.90(13) . . . . ?
N2 C15 C16 O2 -1.6(2) . . . . ?
O2 C16 C17 C18 -175.64(14) . . . . ?
C15 C16 C17 C18 1.5(2) . . . . ?
C16 C17 C18 C31 -1.1(2) . . . . ?
C33 C19 C20 C21 -0.4(2) . . . . ?
C19 C20 C21 C22 0.1(2) . . . . ?
C20 C21 C22 C32 0.4(2) . . . . ?
C20 C21 C22 N2 -178.47(13) . . . . ?
C15 N2 C22 C21 -166.11(13) . . . . ?
C14 N2 C22 C21 -2.8(2) . . . . ?
C15 N2 C22 C32 15.04(19) . . . . ?
C14 N2 C22 C32 178.33(13) . . . . ?
C7 C6 C23 C24 -1.2(2) . . . . ?
C5 C6 C23 C24 -176.09(12) . . . . ?
C6 C23 C24 C25 2.4(2) . . . . ?
C10 N3 C25 C8 1.90(18) . . . . ?
C10 N3 C25 C24 -174.79(12) . . . . ?
N1 C8 C25 N3 2.55(19) . . . . ?
C7 C8 C25 N3 -177.02(11) . . . . ?
N1 C8 C25 C24 179.24(12) . . . . ?
C7 C8 C25 C24 -0.34(19) . . . . ?
C23 C24 C25 N3 175.09(12) . . . . ?
C23 C24 C25 C8 -1.67(19) . . . . ?
C2 C1 C26 C27 -1.2(2) . . . . ?
C1 C26 C27 C4 1.8(2) . . . . ?
C3 C4 C27 C26 -0.6(2) . . . . ?
C5 C4 C27 C26 177.61(13) . . . . ?
C12 C11 C28 C29 -0.9(2) . . . . ?
C10 C11 C28 C29 173.81(13) . . . . ?
C13 C14 C29 C28 0.4(2) . . . . ?
N2 C14 C29 C28 179.37(13) . . . . ?
C11 C28 C29 C14 0.7(2) . . . . ?
C16 C15 C30 C31 -1.6(2) . . . . ?
N2 C15 C30 C31 176.80(13) . . . . ?
C17 C18 C31 C30 -0.7(2) . . . . ?
C15 C30 C31 C18 2.1(2) . . . . ?
C16 O2 C32 C33 165.80(13) . . . . ?
C16 O2 C32 C22 -16.2(2) . . . . ?
C21 C22 C32 C33 -0.5(2) . . . . ?
N2 C22 C32 C33 178.39(13) . . . . ?
C21 C22 C32 O2 -178.48(13) . . . . ?
N2 C22 C32 O2 0.4(2) . . . . ?
O2 C32 C33 C19 178.24(14) . . . . ?
C22 C32 C33 C19 0.2(2) . . . . ?
C20 C19 C33 C32 0.3(2) . . . . ?

_refine_diff_density_max         0.268
_refine_diff_density_min         -0.215
_refine_diff_density_rms         0.043

