# Electronic Supplementary Material (ESI) for Materials Horizons.
# 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_1111
_database_code_depnum_ccdc_archive 'CCDC 1970706'
loop_
_audit_author_name
_audit_author_address
'He Jiang'
;Wenyuan Road, Nanjing
China
;
_audit_update_record             
;
2019-12-09 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;
_audit_creation_date             2019-03-18
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H18 N2'
_chemical_formula_sum            'C25 H18 N2'
_chemical_formula_weight         346.41
_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'
N N 0.0061 0.0033 '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                   4.9504(7)
_cell_length_b                   18.053(2)
_cell_length_c                   19.902(3)
_cell_angle_alpha                90
_cell_angle_beta                 92.566(3)
_cell_angle_gamma                90
_cell_volume                     1776.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    182
_cell_measurement_temperature    295.68
_cell_measurement_theta_max      28.552
_cell_measurement_theta_min      0.989
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6648
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear bluish colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             728
_exptl_crystal_recrystallization_method ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   0.991
_exptl_transmission_factor_min   0.989
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            31585
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.552
_diffrn_reflns_theta_min         2.339
_diffrn_ambient_temperature      295.68
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3630
_reflns_number_total             4494
_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         0.188
_refine_diff_density_min         -0.205
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4494
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0518
_refine_ls_restrained_S_all      1.096
_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)+(0.0440P)²+0.5704P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1296
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C11(H11), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19),
 C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27)
;
_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
N2 N 0.0103(2) 0.24015(7) 0.01291(6) 0.0431(3) Uani 1 1 d . . . . .
N1 N 0.0263(2) 0.28358(6) -0.10094(6) 0.0402(3) Uani 1 1 d . . . . .
C3 C 0.2017(3) 0.23527(7) -0.13118(6) 0.0376(3) Uani 1 1 d . . . . .
C4 C 0.2119(3) 0.28031(8) 0.04769(7) 0.0438(3) Uani 1 1 d . . . . .
C5 C 0.2465(3) 0.16022(8) -0.11912(7) 0.0440(3) Uani 1 1 d . . . . .
H5 H 0.151961 0.134671 -0.087094 0.053 Uiso 1 1 calc R . . . .
C6 C 0.3414(3) 0.27410(8) -0.18016(6) 0.0411(3) Uani 1 1 d . . . . .
C7 C 0.3291(3) 0.23512(9) 0.09864(7) 0.0479(3) Uani 1 1 d . . . . .
C8 C 0.1912(3) 0.16485(9) 0.09510(7) 0.0466(3) Uani 1 1 d . . . . .
C9 C 0.2406(3) 0.34923(8) -0.18031(7) 0.0436(3) Uani 1 1 d . . . . .
C10 C -0.1435(3) 0.26522(8) -0.04620(7) 0.0441(3) Uani 1 1 d . . . . .
H10A H -0.269529 0.226692 -0.060770 0.053 Uiso 1 1 calc R . . . .
H10B H -0.247854 0.308525 -0.034697 0.053 Uiso 1 1 calc R . . . .
C11 C 0.5329(3) 0.23723(10) -0.21675(7) 0.0515(4) Uani 1 1 d . . . . .
H11 H 0.628107 0.262280 -0.248971 0.062 Uiso 1 1 calc R . . . .
C12 C -0.0055(3) 0.17026(8) 0.04199(7) 0.0426(3) Uani 1 1 d . . . . .
C13 C 0.0462(3) 0.35281(8) -0.13103(7) 0.0419(3) Uani 1 1 d . . . . .
C14 C 0.4369(3) 0.12520(9) -0.15657(8) 0.0511(4) Uani 1 1 d . . . . .
H14 H 0.470683 0.075054 -0.149541 0.061 Uiso 1 1 calc R . . . .
C15 C 0.2970(3) 0.35263(9) 0.03786(8) 0.0529(4) Uani 1 1 d . . . . .
H15 H 0.217876 0.382174 0.004137 0.063 Uiso 1 1 calc R . . . .
C16 C 0.5798(3) 0.16301(10) -0.20460(8) 0.0560(4) Uani 1 1 d . . . . .
H16 H 0.708052 0.137964 -0.228710 0.067 Uiso 1 1 calc R . . . .
C17 C -0.1788(3) 0.11174(9) 0.02554(8) 0.0507(4) Uani 1 1 d . . . . .
H17 H -0.309691 0.115723 -0.009266 0.061 Uiso 1 1 calc R . . . .
C18 C -0.0912(3) 0.41835(9) -0.11877(9) 0.0553(4) Uani 1 1 d . . . . .
H18 H -0.220480 0.420699 -0.086347 0.066 Uiso 1 1 calc R . . . .
C19 C 0.0450(4) 0.04084(10) 0.11469(9) 0.0631(5) Uani 1 1 d . . . . .
H19 H 0.060372 -0.003337 0.138589 0.076 Uiso 1 1 calc R . . . .
C20 C 0.5387(3) 0.26346(11) 0.14047(9) 0.0616(4) Uani 1 1 d . . . . .
H20 H 0.618756 0.234377 0.174403 0.074 Uiso 1 1 calc R . . . .
C21 C 0.2156(4) 0.09884(10) 0.13128(8) 0.0587(4) Uani 1 1 d . . . . .
H21 H 0.345588 0.094091 0.166209 0.070 Uiso 1 1 calc R . . . .
C22 C 0.2974(4) 0.41230(10) -0.21741(8) 0.0587(4) Uani 1 1 d . . . . .
H22 H 0.425339 0.410659 -0.250198 0.070 Uiso 1 1 calc R . . . .
C23 C 0.5052(4) 0.37905(11) 0.08049(9) 0.0645(5) Uani 1 1 d . . . . .
H23 H 0.566138 0.427359 0.075307 0.077 Uiso 1 1 calc R . . . .
C24 C -0.0287(4) 0.47984(9) -0.15641(10) 0.0653(5) Uani 1 1 d . . . . .
H24 H -0.117472 0.524273 -0.148880 0.078 Uiso 1 1 calc R . . . .
C25 C -0.1492(4) 0.04756(9) 0.06275(9) 0.0580(4) Uani 1 1 d . . . . .
H25 H -0.262906 0.007681 0.052694 0.070 Uiso 1 1 calc R . . . .
C26 C 0.1621(4) 0.47704(10) -0.20497(9) 0.0673(5) Uani 1 1 d . . . . .
H26 H 0.199321 0.519397 -0.229485 0.081 Uiso 1 1 calc R . . . .
C27 C 0.6245(4) 0.33468(12) 0.13083(10) 0.0690(5) Uani 1 1 d . . . . .
H27 H 0.764712 0.353705 0.158319 0.083 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
N2 C4 1.3925(18) . ?
N2 C10 1.4451(18) . ?
N2 C12 1.3917(19) . ?
N1 C3 1.3871(17) . ?
N1 C10 1.4440(17) . ?
N1 C13 1.3913(18) . ?
C3 C5 1.392(2) . ?
C3 C6 1.4073(19) . ?
C4 C7 1.406(2) . ?
C4 C15 1.388(2) . ?
C5 H5 0.9300 . ?
C5 C14 1.381(2) . ?
C6 C9 1.445(2) . ?
C6 C11 1.391(2) . ?
C7 C8 1.441(2) . ?
C7 C20 1.398(2) . ?
C8 C12 1.408(2) . ?
C8 C21 1.395(2) . ?
C9 C13 1.406(2) . ?
C9 C22 1.392(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11 0.9300 . ?
C11 C16 1.379(2) . ?
C12 C17 1.390(2) . ?
C13 C18 1.392(2) . ?
C14 H14 0.9300 . ?
C14 C16 1.393(2) . ?
C15 H15 0.9300 . ?
C15 C23 1.390(2) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C17 C25 1.379(2) . ?
C18 H18 0.9300 . ?
C18 C24 1.382(2) . ?
C19 H19 0.9300 . ?
C19 C21 1.376(3) . ?
C19 C25 1.385(3) . ?
C20 H20 0.9300 . ?
C20 C27 1.370(3) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C22 C26 1.375(3) . ?
C23 H23 0.9300 . ?
C23 C27 1.393(3) . ?
C24 H24 0.9300 . ?
C24 C26 1.382(3) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 H27 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
C4 N2 C10 125.54(12) . . ?
C12 N2 C4 108.53(12) . . ?
C12 N2 C10 125.81(12) . . ?
C3 N1 C10 125.45(12) . . ?
C3 N1 C13 108.68(11) . . ?
C13 N1 C10 125.85(12) . . ?
N1 C3 C5 129.43(13) . . ?
N1 C3 C6 108.91(12) . . ?
C5 C3 C6 121.66(13) . . ?
N2 C4 C7 108.65(13) . . ?
C15 C4 N2 129.41(14) . . ?
C15 C4 C7 121.94(14) . . ?
C3 C5 H5 121.3 . . ?
C14 C5 C3 117.38(14) . . ?
C14 C5 H5 121.3 . . ?
C3 C6 C9 106.77(12) . . ?
C11 C6 C3 119.47(14) . . ?
C11 C6 C9 133.76(14) . . ?
C4 C7 C8 107.22(13) . . ?
C20 C7 C4 119.23(16) . . ?
C20 C7 C8 133.55(16) . . ?
C12 C8 C7 106.62(13) . . ?
C21 C8 C7 134.19(15) . . ?
C21 C8 C12 119.19(15) . . ?
C13 C9 C6 106.78(12) . . ?
C22 C9 C6 133.67(15) . . ?
C22 C9 C13 119.55(15) . . ?
N2 C10 H10A 109.1 . . ?
N2 C10 H10B 109.1 . . ?
N1 C10 N2 112.51(11) . . ?
N1 C10 H10A 109.1 . . ?
N1 C10 H10B 109.1 . . ?
H10A C10 H10B 107.8 . . ?
C6 C11 H11 120.4 . . ?
C16 C11 C6 119.11(15) . . ?
C16 C11 H11 120.4 . . ?
N2 C12 C8 108.97(13) . . ?
C17 C12 N2 129.53(14) . . ?
C17 C12 C8 121.51(14) . . ?
N1 C13 C9 108.84(12) . . ?
N1 C13 C18 130.07(14) . . ?
C18 C13 C9 121.09(14) . . ?
C5 C14 H14 119.1 . . ?
C5 C14 C16 121.73(15) . . ?
C16 C14 H14 119.1 . . ?
C4 C15 H15 121.4 . . ?
C4 C15 C23 117.27(17) . . ?
C23 C15 H15 121.4 . . ?
C11 C16 C14 120.64(15) . . ?
C11 C16 H16 119.7 . . ?
C14 C16 H16 119.7 . . ?
C12 C17 H17 121.2 . . ?
C25 C17 C12 117.54(16) . . ?
C25 C17 H17 121.2 . . ?
C13 C18 H18 121.1 . . ?
C24 C18 C13 117.71(16) . . ?
C24 C18 H18 121.1 . . ?
C21 C19 H19 119.7 . . ?
C21 C19 C25 120.69(16) . . ?
C25 C19 H19 119.7 . . ?
C7 C20 H20 120.4 . . ?
C27 C20 C7 119.12(17) . . ?
C27 C20 H20 120.4 . . ?
C8 C21 H21 120.4 . . ?
C19 C21 C8 119.23(16) . . ?
C19 C21 H21 120.4 . . ?
C9 C22 H22 120.4 . . ?
C26 C22 C9 119.20(17) . . ?
C26 C22 H22 120.4 . . ?
C15 C23 H23 119.3 . . ?
C15 C23 C27 121.37(17) . . ?
C27 C23 H23 119.3 . . ?
C18 C24 H24 119.1 . . ?
C18 C24 C26 121.75(17) . . ?
C26 C24 H24 119.1 . . ?
C17 C25 C19 121.84(17) . . ?
C17 C25 H25 119.1 . . ?
C19 C25 H25 119.1 . . ?
C22 C26 C24 120.71(16) . . ?
C22 C26 H26 119.6 . . ?
C24 C26 H26 119.6 . . ?
C20 C27 C23 121.06(16) . . ?
C20 C27 H27 119.5 . . ?
C23 C27 H27 119.5 . . ?

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
N2 C4 C7 C8 -0.59(15) . . . . ?
N2 C4 C7 C20 179.80(13) . . . . ?
N2 C4 C15 C23 179.98(14) . . . . ?
N2 C12 C17 C25 179.55(14) . . . . ?
N1 C3 C5 C14 -179.48(13) . . . . ?
N1 C3 C6 C9 -1.22(14) . . . . ?
N1 C3 C6 C11 179.06(12) . . . . ?
N1 C13 C18 C24 179.54(15) . . . . ?
C3 N1 C10 N2 59.39(17) . . . . ?
C3 N1 C13 C9 -1.12(15) . . . . ?
C3 N1 C13 C18 178.97(14) . . . . ?
C3 C5 C14 C16 0.1(2) . . . . ?
C3 C6 C9 C13 0.53(14) . . . . ?
C3 C6 C9 C22 -179.33(16) . . . . ?
C3 C6 C11 C16 0.6(2) . . . . ?
C4 N2 C10 N1 58.27(18) . . . . ?
C4 N2 C12 C8 -1.16(15) . . . . ?
C4 N2 C12 C17 178.61(14) . . . . ?
C4 C7 C8 C12 -0.12(15) . . . . ?
C4 C7 C8 C21 179.78(15) . . . . ?
C4 C7 C20 C27 0.1(2) . . . . ?
C4 C15 C23 C27 0.3(2) . . . . ?
C5 C3 C6 C9 178.51(12) . . . . ?
C5 C3 C6 C11 -1.21(19) . . . . ?
C5 C14 C16 C11 -0.6(2) . . . . ?
C6 C3 C5 C14 0.85(19) . . . . ?
C6 C9 C13 N1 0.35(15) . . . . ?
C6 C9 C13 C18 -179.73(13) . . . . ?
C6 C9 C22 C26 179.94(16) . . . . ?
C6 C11 C16 C14 0.3(2) . . . . ?
C7 C4 C15 C23 0.2(2) . . . . ?
C7 C8 C12 N2 0.78(15) . . . . ?
C7 C8 C12 C17 -179.02(13) . . . . ?
C7 C8 C21 C19 179.44(15) . . . . ?
C7 C20 C27 C23 0.4(3) . . . . ?
C8 C7 C20 C27 -179.42(16) . . . . ?
C8 C12 C17 C25 -0.7(2) . . . . ?
C9 C6 C11 C16 -179.00(15) . . . . ?
C9 C13 C18 C24 -0.3(2) . . . . ?
C9 C22 C26 C24 -0.1(3) . . . . ?
C10 N2 C4 C7 -175.09(12) . . . . ?
C10 N2 C4 C15 5.1(2) . . . . ?
C10 N2 C12 C8 175.00(12) . . . . ?
C10 N2 C12 C17 -5.2(2) . . . . ?
C10 N1 C3 C5 3.2(2) . . . . ?
C10 N1 C3 C6 -177.13(12) . . . . ?
C10 N1 C13 C9 177.46(12) . . . . ?
C10 N1 C13 C18 -2.4(2) . . . . ?
C11 C6 C9 C13 -179.81(15) . . . . ?
C11 C6 C9 C22 0.3(3) . . . . ?
C12 N2 C4 C7 1.09(15) . . . . ?
C12 N2 C4 C15 -178.70(14) . . . . ?
C12 N2 C10 N1 -117.26(14) . . . . ?
C12 C8 C21 C19 -0.7(2) . . . . ?
C12 C17 C25 C19 -0.1(2) . . . . ?
C13 N1 C3 C5 -178.24(13) . . . . ?
C13 N1 C3 C6 1.47(14) . . . . ?
C13 N1 C10 N2 -118.97(14) . . . . ?
C13 C9 C22 C26 0.1(2) . . . . ?
C13 C18 C24 C26 0.3(3) . . . . ?
C15 C4 C7 C8 179.21(13) . . . . ?
C15 C4 C7 C20 -0.4(2) . . . . ?
C15 C23 C27 C20 -0.6(3) . . . . ?
C18 C24 C26 C22 -0.1(3) . . . . ?
C20 C7 C8 C12 179.42(16) . . . . ?
C20 C7 C8 C21 -0.7(3) . . . . ?
C21 C8 C12 N2 -179.14(13) . . . . ?
C21 C8 C12 C17 1.1(2) . . . . ?
C21 C19 C25 C17 0.4(3) . . . . ?
C22 C9 C13 N1 -179.77(13) . . . . ?
C22 C9 C13 C18 0.1(2) . . . . ?
C25 C19 C21 C8 -0.1(2) . . . . ?

_shelx_SHELXL_version_number     2016/6

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_111
_database_code_depnum_ccdc_archive 'CCDC 1970715'
loop_
_audit_author_name
_audit_author_address
'he jiang'
;University
China
;
_audit_update_record             
;
2020-09-18 deposited with the CCDC.	2020-10-08 downloaded from the CCDC.
;
_audit_creation_date             2020-09-18
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H16 N2 O'
_chemical_formula_sum            'C25 H16 N2 O'
_chemical_formula_weight         360.40
_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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.125(12)
_cell_length_b                   5.437(4)
_cell_length_c                   22.259(17)
_cell_angle_alpha                90
_cell_angle_beta                 110.185(15)
_cell_angle_gamma                90
_cell_volume                     1832(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3826
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      27.82
_cell_measurement_theta_min      2.53
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5085
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1059 before and 0.0693 after correction.
The Ratio of minimum to maximum transmission is 0.6819.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             752
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_av_unetI/netI     0.0896
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            9288
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.106
_diffrn_reflns_theta_min         2.725
_diffrn_ambient_temperature      298.95
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2548
_reflns_number_total             4303
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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         0.328
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.074
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4303
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1459
_refine_ls_R_factor_gt           0.0903
_refine_ls_restrained_S_all      1.050
_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)+(0.1370P)²+0.7952P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2255
_refine_ls_wR_factor_ref         0.2675
_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:
 C12(H12), C13(H13), C15(H15), C16(H16), C17(H17), C18(H18), C19(H19),
 C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27),
  C28(H28)
;
_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
O1 O 0.07783(14) 0.2745(5) 0.49323(11) 0.0560(6) Uani 1 1 d . . . . .
N2 N 0.17762(16) 0.3554(5) 0.44299(11) 0.0424(6) Uani 1 1 d . . . . .
N3 N 0.22406(16) 0.1822(5) 0.54678(12) 0.0434(6) Uani 1 1 d . . . . .
C4 C 0.2143(2) -0.0063(5) 0.58793(13) 0.0410(7) Uani 1 1 d . . . . .
C5 C 0.23986(19) 0.2495(5) 0.41818(14) 0.0420(7) Uani 1 1 d . . . . .
C6 C 0.2338(2) 0.3740(5) 0.36097(14) 0.0429(7) Uani 1 1 d . . . . .
C7 C 0.1644(2) 0.5593(6) 0.34954(14) 0.0426(7) Uani 1 1 d . . . . .
C8 C 0.3564(2) 0.1468(6) 0.63043(14) 0.0424(7) Uani 1 1 d . . . . .
C9 C 0.12992(19) 0.5411(5) 0.39938(14) 0.0424(7) Uani 1 1 d . . . . .
C10 C 0.2962(2) -0.0362(6) 0.63887(14) 0.0427(7) Uani 1 1 d . . . . .
C11 C 0.31153(19) 0.2797(5) 0.57399(14) 0.0417(7) Uani 1 1 d . . . . .
C12 C 0.3512(2) 0.4727(6) 0.55390(16) 0.0511(8) Uani 1 1 d . . . . .
H12 H 0.320867 0.561076 0.517076 0.061 Uiso 1 1 calc R . . . .
C13 C 0.2982(2) 0.0533(6) 0.44036(17) 0.0512(8) Uani 1 1 d . . . . .
H13 H 0.301278 -0.031264 0.477399 0.061 Uiso 1 1 calc R . . . .
C14 C 0.1534(2) 0.2713(5) 0.49385(14) 0.0416(7) Uani 1 1 d . . . . .
C15 C 0.1416(2) -0.1569(6) 0.58135(15) 0.0498(8) Uani 1 1 d . . . . .
H15 H 0.088017 -0.134489 0.548263 0.060 Uiso 1 1 calc R . . . .
C16 C 0.4388(2) 0.5311(7) 0.59097(19) 0.0592(9) Uani 1 1 d . . . . .
H16 H 0.467218 0.659166 0.578188 0.071 Uiso 1 1 calc R . . . .
C17 C 0.0636(2) 0.6982(6) 0.40302(16) 0.0519(8) Uani 1 1 d . . . . .
H17 H 0.040666 0.685360 0.435920 0.062 Uiso 1 1 calc R . . . .
C18 C 0.1320(2) 0.7398(6) 0.30212(16) 0.0549(9) Uani 1 1 d . . . . .
H18 H 0.154626 0.753872 0.269076 0.066 Uiso 1 1 calc R . . . .
C19 C 0.1531(3) -0.3416(7) 0.62646(17) 0.0564(9) Uani 1 1 d . . . . .
H19 H 0.105900 -0.445368 0.623345 0.068 Uiso 1 1 calc R . . . .
C20 C 0.3049(2) -0.2252(6) 0.68319(15) 0.0515(8) Uani 1 1 d . . . . .
H20 H 0.358005 -0.248413 0.716671 0.062 Uiso 1 1 calc R . . . .
C21 C 0.2878(2) 0.3041(7) 0.32681(17) 0.0552(9) Uani 1 1 d . . . . .
H21 H 0.284458 0.385880 0.289340 0.066 Uiso 1 1 calc R . . . .
C22 C 0.3512(2) -0.0116(7) 0.40559(19) 0.0607(10) Uani 1 1 d . . . . .
H22 H 0.391000 -0.140643 0.419883 0.073 Uiso 1 1 calc R . . . .
C23 C 0.4444(2) 0.2090(7) 0.66684(17) 0.0573(9) Uani 1 1 d . . . . .
H23 H 0.474917 0.122036 0.703856 0.069 Uiso 1 1 calc R . . . .
C24 C 0.0664(3) 0.8955(7) 0.30520(18) 0.0639(10) Uani 1 1 d . . . . .
H24 H 0.044029 1.014727 0.273800 0.077 Uiso 1 1 calc R . . . .
C25 C 0.2337(3) -0.3770(7) 0.67675(16) 0.0582(9) Uani 1 1 d . . . . .
H25 H 0.239119 -0.503726 0.705925 0.070 Uiso 1 1 calc R . . . .
C26 C 0.3462(3) 0.1129(7) 0.34911(19) 0.0621(10) Uani 1 1 d . . . . .
H26 H 0.382719 0.065650 0.326658 0.075 Uiso 1 1 calc R . . . .
C27 C 0.0331(2) 0.8756(7) 0.35513(18) 0.0605(10) Uani 1 1 d . . . . .
H27 H -0.010823 0.984056 0.356536 0.073 Uiso 1 1 calc R . . . .
C28 C 0.4843(2) 0.3997(7) 0.64692(19) 0.0637(10) Uani 1 1 d . . . . .
H28 H 0.542238 0.442253 0.670765 0.076 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
O1 C14 1.215(4) . ?
N2 C5 1.423(4) . ?
N2 C9 1.428(4) . ?
N2 C14 1.395(4) . ?
N3 C4 1.419(4) . ?
N3 C11 1.431(4) . ?
N3 C14 1.412(4) . ?
C4 C10 1.422(4) . ?
C4 C15 1.396(4) . ?
C5 C6 1.415(4) . ?
C5 C13 1.395(4) . ?
C6 C7 1.461(4) . ?
C6 C21 1.393(5) . ?
C7 C9 1.405(4) . ?
C7 C18 1.403(5) . ?
C8 C10 1.447(4) . ?
C8 C11 1.413(4) . ?
C8 C23 1.411(5) . ?
C9 C17 1.393(5) . ?
C10 C20 1.398(4) . ?
C11 C12 1.381(5) . ?
C12 H12 0.9300 . ?
C12 C16 1.406(5) . ?
C13 H13 0.9300 . ?
C13 C22 1.382(5) . ?
C15 H15 0.9300 . ?
C15 C19 1.387(5) . ?
C16 H16 0.9300 . ?
C16 C28 1.403(6) . ?
C17 H17 0.9300 . ?
C17 C27 1.396(5) . ?
C18 H18 0.9300 . ?
C18 C24 1.376(5) . ?
C19 H19 0.9300 . ?
C19 C25 1.406(5) . ?
C20 H20 0.9300 . ?
C20 C25 1.381(5) . ?
C21 H21 0.9300 . ?
C21 C26 1.376(5) . ?
C22 H22 0.9300 . ?
C22 C26 1.406(6) . ?
C23 H23 0.9300 . ?
C23 C28 1.372(5) . ?
C24 H24 0.9300 . ?
C24 C27 1.395(6) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 H28 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
C5 N2 C9 108.0(2) . . ?
C14 N2 C5 127.9(3) . . ?
C14 N2 C9 123.2(3) . . ?
C4 N3 C11 107.9(2) . . ?
C14 N3 C4 123.3(3) . . ?
C14 N3 C11 128.3(3) . . ?
N3 C4 C10 108.6(3) . . ?
C15 C4 N3 129.2(3) . . ?
C15 C4 C10 122.1(3) . . ?
C6 C5 N2 108.4(3) . . ?
C13 C5 N2 130.6(3) . . ?
C13 C5 C6 120.9(3) . . ?
C5 C6 C7 107.3(3) . . ?
C21 C6 C5 119.9(3) . . ?
C21 C6 C7 132.8(3) . . ?
C9 C7 C6 107.5(3) . . ?
C18 C7 C6 132.6(3) . . ?
C18 C7 C9 119.8(3) . . ?
C11 C8 C10 107.8(3) . . ?
C23 C8 C10 132.6(3) . . ?
C23 C8 C11 119.5(3) . . ?
C7 C9 N2 108.6(3) . . ?
C17 C9 N2 129.7(3) . . ?
C17 C9 C7 121.6(3) . . ?
C4 C10 C8 107.3(3) . . ?
C20 C10 C4 119.0(3) . . ?
C20 C10 C8 133.6(3) . . ?
C8 C11 N3 108.3(3) . . ?
C12 C11 N3 130.0(3) . . ?
C12 C11 C8 121.6(3) . . ?
C11 C12 H12 121.1 . . ?
C11 C12 C16 117.8(3) . . ?
C16 C12 H12 121.1 . . ?
C5 C13 H13 121.0 . . ?
C22 C13 C5 117.9(3) . . ?
C22 C13 H13 121.0 . . ?
O1 C14 N2 123.1(3) . . ?
O1 C14 N3 122.1(3) . . ?
N2 C14 N3 114.8(3) . . ?
C4 C15 H15 121.6 . . ?
C19 C15 C4 116.9(3) . . ?
C19 C15 H15 121.6 . . ?
C12 C16 H16 119.4 . . ?
C28 C16 C12 121.2(3) . . ?
C28 C16 H16 119.4 . . ?
C9 C17 H17 121.5 . . ?
C9 C17 C27 117.1(3) . . ?
C27 C17 H17 121.5 . . ?
C7 C18 H18 120.5 . . ?
C24 C18 C7 119.1(3) . . ?
C24 C18 H18 120.5 . . ?
C15 C19 H19 119.0 . . ?
C15 C19 C25 122.1(3) . . ?
C25 C19 H19 119.0 . . ?
C10 C20 H20 120.3 . . ?
C25 C20 C10 119.3(3) . . ?
C25 C20 H20 120.3 . . ?
C6 C21 H21 120.4 . . ?
C26 C21 C6 119.3(3) . . ?
C26 C21 H21 120.4 . . ?
C13 C22 H22 119.2 . . ?
C13 C22 C26 121.5(3) . . ?
C26 C22 H22 119.2 . . ?
C8 C23 H23 120.4 . . ?
C28 C23 C8 119.1(3) . . ?
C28 C23 H23 120.4 . . ?
C18 C24 H24 119.8 . . ?
C18 C24 C27 120.4(3) . . ?
C27 C24 H24 119.8 . . ?
C19 C25 H25 119.7 . . ?
C20 C25 C19 120.5(3) . . ?
C20 C25 H25 119.7 . . ?
C21 C26 C22 120.5(3) . . ?
C21 C26 H26 119.8 . . ?
C22 C26 H26 119.8 . . ?
C17 C27 H27 119.0 . . ?
C24 C27 C17 122.0(3) . . ?
C24 C27 H27 119.0 . . ?
C16 C28 H28 119.6 . . ?
C23 C28 C16 120.8(3) . . ?
C23 C28 H28 119.6 . . ?

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
N2 C5 C6 C7 -1.1(3) . . . . ?
N2 C5 C6 C21 -179.7(3) . . . . ?
N2 C5 C13 C22 179.4(3) . . . . ?
N2 C9 C17 C27 175.4(3) . . . . ?
N3 C4 C10 C8 2.8(3) . . . . ?
N3 C4 C10 C20 -175.3(3) . . . . ?
N3 C4 C15 C19 174.6(3) . . . . ?
N3 C11 C12 C16 179.1(3) . . . . ?
C4 N3 C11 C8 1.9(3) . . . . ?
C4 N3 C11 C12 -176.4(3) . . . . ?
C4 N3 C14 O1 30.7(5) . . . . ?
C4 N3 C14 N2 -149.6(3) . . . . ?
C4 C10 C20 C25 -0.4(5) . . . . ?
C4 C15 C19 C25 0.1(5) . . . . ?
C5 N2 C9 C7 -2.7(3) . . . . ?
C5 N2 C9 C17 -178.8(3) . . . . ?
C5 N2 C14 O1 -139.8(3) . . . . ?
C5 N2 C14 N3 40.4(4) . . . . ?
C5 C6 C7 C9 -0.5(3) . . . . ?
C5 C6 C7 C18 177.4(3) . . . . ?
C5 C6 C21 C26 0.4(5) . . . . ?
C5 C13 C22 C26 -0.8(5) . . . . ?
C6 C5 C13 C22 1.5(5) . . . . ?
C6 C7 C9 N2 2.0(3) . . . . ?
C6 C7 C9 C17 178.5(3) . . . . ?
C6 C7 C18 C24 -178.1(3) . . . . ?
C6 C21 C26 C22 0.3(5) . . . . ?
C7 C6 C21 C26 -177.7(3) . . . . ?
C7 C9 C17 C27 -0.3(5) . . . . ?
C7 C18 C24 C27 0.6(5) . . . . ?
C8 C10 C20 C25 -177.9(3) . . . . ?
C8 C11 C12 C16 1.1(5) . . . . ?
C8 C23 C28 C16 -0.3(6) . . . . ?
C9 N2 C5 C6 2.3(3) . . . . ?
C9 N2 C5 C13 -175.8(3) . . . . ?
C9 N2 C14 O1 27.7(5) . . . . ?
C9 N2 C14 N3 -152.0(3) . . . . ?
C9 C7 C18 C24 -0.3(5) . . . . ?
C9 C17 C27 C24 0.6(5) . . . . ?
C10 C4 C15 C19 -1.0(5) . . . . ?
C10 C8 C11 N3 -0.2(3) . . . . ?
C10 C8 C11 C12 178.3(3) . . . . ?
C10 C8 C23 C28 -178.5(3) . . . . ?
C10 C20 C25 C19 -0.4(5) . . . . ?
C11 N3 C4 C10 -2.9(3) . . . . ?
C11 N3 C4 C15 -179.0(3) . . . . ?
C11 N3 C14 O1 -139.9(3) . . . . ?
C11 N3 C14 N2 39.8(4) . . . . ?
C11 C8 C10 C4 -1.6(3) . . . . ?
C11 C8 C10 C20 176.1(3) . . . . ?
C11 C8 C23 C28 0.6(5) . . . . ?
C11 C12 C16 C28 -0.7(6) . . . . ?
C12 C16 C28 C23 0.3(6) . . . . ?
C13 C5 C6 C7 177.2(3) . . . . ?
C13 C5 C6 C21 -1.4(5) . . . . ?
C13 C22 C26 C21 -0.1(6) . . . . ?
C14 N2 C5 C6 171.4(3) . . . . ?
C14 N2 C5 C13 -6.7(5) . . . . ?
C14 N2 C9 C7 -172.4(3) . . . . ?
C14 N2 C9 C17 11.5(5) . . . . ?
C14 N3 C4 C10 -175.2(3) . . . . ?
C14 N3 C4 C15 8.7(5) . . . . ?
C14 N3 C11 C8 173.7(3) . . . . ?
C14 N3 C11 C12 -4.6(5) . . . . ?
C15 C4 C10 C8 179.2(3) . . . . ?
C15 C4 C10 C20 1.1(5) . . . . ?
C15 C19 C25 C20 0.6(5) . . . . ?
C18 C7 C9 N2 -176.3(3) . . . . ?
C18 C7 C9 C17 0.2(5) . . . . ?
C18 C24 C27 C17 -0.7(6) . . . . ?
C21 C6 C7 C9 177.8(3) . . . . ?
C21 C6 C7 C18 -4.3(6) . . . . ?
C23 C8 C10 C4 177.6(3) . . . . ?
C23 C8 C10 C20 -4.7(6) . . . . ?
C23 C8 C11 N3 -179.5(3) . . . . ?
C23 C8 C11 C12 -1.0(5) . . . . ?

_shelx_SHELXL_version_number     2016/6

_olex2_submission_special_instructions 'No special instructions were received'
