# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_GET14_0m
_database_code_depnum_ccdc_archive 'CCDC 2129039'
loop_
_audit_author_name
_audit_author_address
'Yan-Ping Zhu'
;Yantai university
China
;
_audit_update_record             
;
2021-12-16 deposited with the CCDC.	2022-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H19 N5 O2'
_chemical_formula_weight         433.46

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                   9.8332(17)
_cell_length_b                   13.452(2)
_cell_length_c                   16.081(3)
_cell_angle_alpha                90
_cell_angle_beta                 100.629(3)
_cell_angle_gamma                90
_cell_volume                     2090.6(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3883
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      27.00

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_F_000             904
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.091
_shelx_estimated_absorpt_T_min   0.984
_shelx_estimated_absorpt_T_max   0.987
_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      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12761
_diffrn_reflns_av_unetI/netI     0.0402
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.988
_diffrn_reflns_theta_max         27.480
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4771
_reflns_number_gt                3523
_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-2016/6 (Sheldrick, 2016)'
_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         4771
_refine_ls_number_parameters     299
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0457
_refine_ls_wR_factor_ref         0.1509
_refine_ls_wR_factor_gt          0.1333
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_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 0.42841(10) 0.62493(7) 0.34276(6) 0.0429(3) Uani 1 1 d . . . . .
O2 O 0.45077(11) 1.03417(7) 0.33692(7) 0.0467(3) Uani 1 1 d . . . . .
N1 N 0.63410(12) 0.56483(8) 0.41914(8) 0.0379(3) Uani 1 1 d . . . . .
N2 N 0.25100(13) 0.83253(9) 0.24884(8) 0.0419(3) Uani 1 1 d . . . . .
N3 N 0.27279(12) 0.93335(9) 0.26870(8) 0.0393(3) Uani 1 1 d . . . . .
N4 N 0.76238(12) 0.59754(9) 0.46053(8) 0.0429(3) Uani 1 1 d . . . . .
N5 N 0.86506(14) 1.07099(10) 0.46372(10) 0.0559(4) Uani 1 1 d . . . . .
C1 C 0.16435(15) 1.00092(11) 0.23846(9) 0.0399(3) Uani 1 1 d . . . . .
C2 C 0.04620(17) 0.96606(14) 0.18476(11) 0.0532(4) Uani 1 1 d . . . . .
H2 H 0.039038 0.899230 0.169768 0.064 Uiso 1 1 calc R U . . .
C3 C -0.05987(19) 1.03062(16) 0.15393(13) 0.0645(5) Uani 1 1 d . . . . .
H3 H -0.138220 1.007086 0.117893 0.077 Uiso 1 1 calc R U . . .
C4 C -0.05105(19) 1.12998(16) 0.17599(12) 0.0642(5) Uani 1 1 d . . . . .
H4 H -0.122550 1.173458 0.154671 0.077 Uiso 1 1 calc R U . . .
C5 C 0.0636(2) 1.16344(14) 0.22933(13) 0.0632(5) Uani 1 1 d . . . . .
H5 H 0.069219 1.230168 0.244715 0.076 Uiso 1 1 calc R U . . .
C6 C 0.17264(17) 1.10023(12) 0.26137(11) 0.0521(4) Uani 1 1 d . . . . .
H6 H 0.250195 1.124396 0.297751 0.062 Uiso 1 1 calc R U . . .
C7 C 0.60470(16) 0.46089(10) 0.42177(9) 0.0376(3) Uani 1 1 d . . . . .
C8 C 0.71401(18) 0.39754(11) 0.45243(11) 0.0486(4) Uani 1 1 d . . . . .
H8 H 0.802759 0.422827 0.469645 0.058 Uiso 1 1 calc R U . . .
C9 C 0.6899(2) 0.29639(12) 0.45717(11) 0.0576(5) Uani 1 1 d . . . . .
H9 H 0.762949 0.254041 0.478136 0.069 Uiso 1 1 calc R U . . .
C10 C 0.5598(2) 0.25784(12) 0.43137(11) 0.0552(5) Uani 1 1 d . . . . .
H10 H 0.544633 0.189817 0.434578 0.066 Uiso 1 1 calc R U . . .
C11 C 0.4522(2) 0.32071(13) 0.40077(12) 0.0571(5) Uani 1 1 d . . . . .
H11 H 0.364011 0.294682 0.382935 0.069 Uiso 1 1 calc R U . . .
C12 C 0.47283(17) 0.42262(12) 0.39598(11) 0.0514(4) Uani 1 1 d . . . . .
H12 H 0.399014 0.464616 0.375719 0.062 Uiso 1 1 calc R U . . .
C13 C 0.40520(14) 0.95215(10) 0.31362(9) 0.0354(3) Uani 1 1 d . . . . .
C14 C 0.46832(14) 0.85278(10) 0.32671(8) 0.0335(3) Uani 1 1 d . . . . .
C15 C 0.36418(14) 0.78699(10) 0.28213(8) 0.0361(3) Uani 1 1 d . . . . .
C16 C 0.38272(16) 0.68013(11) 0.26517(9) 0.0432(4) Uani 1 1 d . . . . .
H16A H 0.295773 0.652780 0.235759 0.052 Uiso 1 1 calc R U . . .
H16B H 0.450416 0.672873 0.228690 0.052 Uiso 1 1 calc R U . . .
C17 C 0.55865(14) 0.64120(10) 0.38151(8) 0.0346(3) Uani 1 1 d . . . . .
C18 C 0.63849(14) 0.72821(10) 0.39624(8) 0.0339(3) Uani 1 1 d . . . . .
C19 C 0.59412(13) 0.82820(9) 0.37422(8) 0.0320(3) Uani 1 1 d . . . . .
C20 C 0.69012(13) 0.91167(10) 0.40671(9) 0.0337(3) Uani 1 1 d . . . . .
C21 C 0.77930(16) 0.95011(12) 0.35762(10) 0.0449(4) Uani 1 1 d . . . . .
H21 H 0.781855 0.923822 0.304446 0.054 Uiso 1 1 calc R U . . .
C22 C 0.86446(17) 1.02831(12) 0.38917(12) 0.0520(4) Uani 1 1 d . . . . .
H22 H 0.925275 1.052631 0.356087 0.062 Uiso 1 1 calc R U . . .
C23 C 0.77941(19) 1.03230(12) 0.50985(12) 0.0549(4) Uani 1 1 d . . . . .
H23 H 0.778982 1.060058 0.562766 0.066 Uiso 1 1 calc R U . . .
C24 C 0.69112(16) 0.95398(11) 0.48492(10) 0.0441(4) Uani 1 1 d . . . . .
H24 H 0.633355 0.930098 0.520123 0.053 Uiso 1 1 calc R U . . .
C25 C 0.76542(14) 0.69371(10) 0.44692(9) 0.0383(3) Uani 1 1 d . . . . .
C26 C 0.89352(16) 0.74784(12) 0.48665(12) 0.0554(5) Uani 1 1 d . . . . .
H26A H 0.962453 0.700819 0.511762 0.083 Uiso 1 1 calc R U . . .
H26B H 0.872624 0.791959 0.529501 0.083 Uiso 1 1 calc R U . . .
H26C H 0.927868 0.785543 0.444232 0.083 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 C17 1.3349(16) . ?
O1 C16 1.4503(17) . ?
O2 C13 1.2233(16) . ?
N1 C17 1.3440(17) . ?
N1 N4 1.3849(16) . ?
N1 C7 1.4300(17) . ?
N2 C15 1.2965(18) . ?
N2 N3 1.4007(16) . ?
N3 C13 1.3907(18) . ?
N3 C1 1.4171(18) . ?
N4 C25 1.3133(18) . ?
N5 C23 1.327(2) . ?
N5 C22 1.328(2) . ?
C1 C6 1.384(2) . ?
C1 C2 1.395(2) . ?
C2 C3 1.377(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.361(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.390(2) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.386(2) . ?
C7 C8 1.389(2) . ?
C8 C9 1.386(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.372(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.373(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.390(2) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.4724(19) . ?
C14 C19 1.3692(18) . ?
C14 C15 1.4404(18) . ?
C15 C16 1.481(2) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.4049(18) . ?
C18 C25 1.4360(19) . ?
C18 C19 1.4381(18) . ?
C19 C20 1.4976(17) . ?
C20 C24 1.379(2) . ?
C20 C21 1.3838(19) . ?
C21 C22 1.381(2) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 C24 1.377(2) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.493(2) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C17 O1 C16 115.84(11) . . ?
C17 N1 N4 110.59(11) . . ?
C17 N1 C7 131.52(12) . . ?
N4 N1 C7 117.88(11) . . ?
C15 N2 N3 106.25(11) . . ?
C13 N3 N2 112.56(11) . . ?
C13 N3 C1 129.40(12) . . ?
N2 N3 C1 117.97(12) . . ?
C25 N4 N1 106.23(11) . . ?
C23 N5 C22 115.95(14) . . ?
C6 C1 C2 119.39(14) . . ?
C6 C1 N3 121.60(13) . . ?
C2 C1 N3 119.01(14) . . ?
C3 C2 C1 119.99(18) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 C4 120.67(18) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.15(17) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 121.58(19) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C1 C6 C5 119.21(16) . . ?
C1 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C12 C7 C8 119.90(14) . . ?
C12 C7 N1 122.51(13) . . ?
C8 C7 N1 117.58(13) . . ?
C9 C8 C7 119.53(16) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C10 C9 C8 120.93(16) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 C11 119.31(15) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 121.11(17) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C7 C12 C11 119.21(16) . . ?
C7 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
O2 C13 N3 125.32(13) . . ?
O2 C13 C14 130.84(13) . . ?
N3 C13 C14 103.81(11) . . ?
C19 C14 C15 127.99(13) . . ?
C19 C14 C13 127.78(12) . . ?
C15 C14 C13 104.15(11) . . ?
N2 C15 C14 113.11(13) . . ?
N2 C15 C16 120.54(12) . . ?
C14 C15 C16 126.00(12) . . ?
O1 C16 C15 111.58(11) . . ?
O1 C16 H16A 109.3 . . ?
C15 C16 H16A 109.3 . . ?
O1 C16 H16B 109.3 . . ?
C15 C16 H16B 109.3 . . ?
H16A C16 H16B 108.0 . . ?
O1 C17 N1 119.15(12) . . ?
O1 C17 C18 132.34(12) . . ?
N1 C17 C18 108.42(12) . . ?
C17 C18 C25 103.10(11) . . ?
C17 C18 C19 127.08(13) . . ?
C25 C18 C19 129.38(12) . . ?
C14 C19 C18 124.41(12) . . ?
C14 C19 C20 117.40(12) . . ?
C18 C19 C20 118.18(12) . . ?
C24 C20 C21 117.87(13) . . ?
C24 C20 C19 121.71(12) . . ?
C21 C20 C19 120.41(13) . . ?
C22 C21 C20 118.69(15) . . ?
C22 C21 H21 120.7 . . ?
C20 C21 H21 120.7 . . ?
N5 C22 C21 124.19(15) . . ?
N5 C22 H22 117.9 . . ?
C21 C22 H22 117.9 . . ?
N5 C23 C24 124.64(16) . . ?
N5 C23 H23 117.7 . . ?
C24 C23 H23 117.7 . . ?
C23 C24 C20 118.64(14) . . ?
C23 C24 H24 120.7 . . ?
C20 C24 H24 120.7 . . ?
N4 C25 C18 111.64(12) . . ?
N4 C25 C26 116.90(13) . . ?
C18 C25 C26 131.43(13) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 N2 N3 C13 1.91(15) . . . . ?
C15 N2 N3 C1 179.13(12) . . . . ?
C17 N1 N4 C25 -0.89(16) . . . . ?
C7 N1 N4 C25 178.26(12) . . . . ?
C13 N3 C1 C6 -9.1(2) . . . . ?
N2 N3 C1 C6 174.23(14) . . . . ?
C13 N3 C1 C2 171.33(14) . . . . ?
N2 N3 C1 C2 -5.3(2) . . . . ?
C6 C1 C2 C3 1.1(2) . . . . ?
N3 C1 C2 C3 -179.34(15) . . . . ?
C1 C2 C3 C4 -0.3(3) . . . . ?
C2 C3 C4 C5 -0.5(3) . . . . ?
C3 C4 C5 C6 0.7(3) . . . . ?
C2 C1 C6 C5 -0.9(2) . . . . ?
N3 C1 C6 C5 179.52(15) . . . . ?
C4 C5 C6 C1 0.0(3) . . . . ?
C17 N1 C7 C12 -12.9(2) . . . . ?
N4 N1 C7 C12 168.20(14) . . . . ?
C17 N1 C7 C8 167.80(15) . . . . ?
N4 N1 C7 C8 -11.12(18) . . . . ?
C12 C7 C8 C9 -0.2(2) . . . . ?
N1 C7 C8 C9 179.14(14) . . . . ?
C7 C8 C9 C10 0.5(3) . . . . ?
C8 C9 C10 C11 -0.2(3) . . . . ?
C9 C10 C11 C12 -0.4(3) . . . . ?
C8 C7 C12 C11 -0.4(2) . . . . ?
N1 C7 C12 C11 -179.71(14) . . . . ?
C10 C11 C12 C7 0.7(3) . . . . ?
N2 N3 C13 O2 178.45(13) . . . . ?
C1 N3 C13 O2 1.6(2) . . . . ?
N2 N3 C13 C14 -3.31(15) . . . . ?
C1 N3 C13 C14 179.86(13) . . . . ?
O2 C13 C14 C19 4.6(2) . . . . ?
N3 C13 C14 C19 -173.53(13) . . . . ?
O2 C13 C14 C15 -178.60(14) . . . . ?
N3 C13 C14 C15 3.30(14) . . . . ?
N3 N2 C15 C14 0.47(15) . . . . ?
N3 N2 C15 C16 -173.16(13) . . . . ?
C19 C14 C15 N2 174.38(13) . . . . ?
C13 C14 C15 N2 -2.44(15) . . . . ?
C19 C14 C15 C16 -12.4(2) . . . . ?
C13 C14 C15 C16 170.77(13) . . . . ?
C17 O1 C16 C15 -71.51(16) . . . . ?
N2 C15 C16 O1 -130.16(14) . . . . ?
C14 C15 C16 O1 57.10(19) . . . . ?
C16 O1 C17 N1 -142.56(13) . . . . ?
C16 O1 C17 C18 41.2(2) . . . . ?
N4 N1 C17 O1 -175.93(11) . . . . ?
C7 N1 C17 O1 5.1(2) . . . . ?
N4 N1 C17 C18 1.12(16) . . . . ?
C7 N1 C17 C18 -177.87(13) . . . . ?
O1 C17 C18 C25 175.65(14) . . . . ?
N1 C17 C18 C25 -0.87(15) . . . . ?
O1 C17 C18 C19 2.7(2) . . . . ?
N1 C17 C18 C19 -173.84(13) . . . . ?
C15 C14 C19 C18 -7.7(2) . . . . ?
C13 C14 C19 C18 168.44(13) . . . . ?
C15 C14 C19 C20 173.71(13) . . . . ?
C13 C14 C19 C20 -10.2(2) . . . . ?
C17 C18 C19 C14 -7.2(2) . . . . ?
C25 C18 C19 C14 -178.33(13) . . . . ?
C17 C18 C19 C20 171.42(13) . . . . ?
C25 C18 C19 C20 0.3(2) . . . . ?
C14 C19 C20 C24 91.60(16) . . . . ?
C18 C19 C20 C24 -87.12(17) . . . . ?
C14 C19 C20 C21 -87.08(17) . . . . ?
C18 C19 C20 C21 94.19(16) . . . . ?
C24 C20 C21 C22 0.1(2) . . . . ?
C19 C20 C21 C22 178.82(13) . . . . ?
C23 N5 C22 C21 1.7(2) . . . . ?
C20 C21 C22 N5 -1.3(3) . . . . ?
C22 N5 C23 C24 -1.1(3) . . . . ?
N5 C23 C24 C20 0.0(3) . . . . ?
C21 C20 C24 C23 0.5(2) . . . . ?
C19 C20 C24 C23 -178.23(14) . . . . ?
N1 N4 C25 C18 0.31(15) . . . . ?
N1 N4 C25 C26 178.94(13) . . . . ?
C17 C18 C25 N4 0.34(15) . . . . ?
C19 C18 C25 N4 173.08(14) . . . . ?
C17 C18 C25 C26 -178.04(16) . . . . ?
C19 C18 C25 C26 -5.3(3) . . . . ?

_refine_diff_density_max         0.210
_refine_diff_density_min         -0.249
_refine_diff_density_rms         0.049

