# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_BS_PB465
_database_code_depnum_ccdc_archive 'CCDC 2254620'
loop_
_audit_author_name
_audit_author_address
'Bipul Sarma'
;Tezpur University
India
;
_audit_update_record             
;
2023-04-07 deposited with the CCDC.	2023-10-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H30 N2 O2'
_chemical_formula_weight         402.52

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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   8.0818(7)
_cell_length_b                   16.4868(15)
_cell_length_c                   32.475(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4327.1(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9875
_cell_measurement_theta_min      2.47
_cell_measurement_theta_max      22.56

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_F_000             1728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    0.078
_shelx_estimated_absorpt_T_min   0.978
_shelx_estimated_absorpt_T_max   0.989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.980
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   SADABS
_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       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            140783
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_av_R_equivalents  0.0970
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.509
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             4193
_reflns_number_gt                3578
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0262P)²+3.5098P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0028(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4193
_refine_ls_number_parameters     279
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0429
_refine_ls_wR_factor_ref         0.0941
_refine_ls_wR_factor_gt          0.0897
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_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 0.18301(14) 0.73508(6) 0.41318(4) 0.0241(3) Uani 1 1 d . . . . .
O2 O 0.86632(16) 0.63575(7) 0.27940(4) 0.0273(3) Uani 1 1 d . . . . .
N2 N 0.50254(15) 0.45102(7) 0.37196(4) 0.0153(3) Uani 1 1 d . . . . .
N1 N 1.04141(16) 0.32285(7) 0.31784(4) 0.0182(3) Uani 1 1 d . . . . .
C21 C 0.48395(18) 0.56539(8) 0.41153(4) 0.0144(3) Uani 1 1 d . . . . .
C3 C 0.90034(18) 0.43771(9) 0.33187(4) 0.0152(3) Uani 1 1 d . . . . .
C14 C 0.63442(19) 0.45312(9) 0.39867(4) 0.0148(3) Uani 1 1 d . . . . .
C15 C 0.62826(18) 0.52029(8) 0.42304(4) 0.0146(3) Uani 1 1 d . . . . .
C20 C 0.40902(18) 0.52012(8) 0.37933(4) 0.0151(3) Uani 1 1 d . . . . .
C5 C 0.87476(18) 0.38173(8) 0.36518(4) 0.0152(3) Uani 1 1 d . . . . .
C2 C 1.00421(19) 0.39913(9) 0.30288(5) 0.0169(3) Uani 1 1 d . . . . .
C4 C 0.96283(19) 0.31328(9) 0.35510(5) 0.0172(3) Uani 1 1 d . . . . .
H4 H 0.9687 0.2658 0.3716 0.021 Uiso 1 1 calc R U . . .
C8 C 0.84907(19) 0.51847(9) 0.32474(5) 0.0164(3) Uani 1 1 d . . . . .
H8 H 0.7788 0.5458 0.3436 0.020 Uiso 1 1 calc R U . . .
C23 C 0.26559(19) 0.54661(9) 0.35950(5) 0.0176(3) Uani 1 1 d . . . . .
H23 H 0.2170 0.5159 0.3379 0.021 Uiso 1 1 calc R U . . .
C22 C 0.41006(19) 0.63892(9) 0.42436(5) 0.0161(3) Uani 1 1 d . . . . .
H22 H 0.4569 0.6702 0.4460 0.019 Uiso 1 1 calc R U . . .
C12 C 0.78242(18) 0.39918(8) 0.40482(4) 0.0147(3) Uani 1 1 d . . . . .
C25 C 0.26735(19) 0.66400(9) 0.40443(5) 0.0180(3) Uani 1 1 d . . . . .
C16 C 0.77386(18) 0.52460(8) 0.45219(4) 0.0149(3) Uani 1 1 d . . . . .
C24 C 0.19679(19) 0.61887(9) 0.37235(5) 0.0190(3) Uani 1 1 d . . . . .
H24 H 0.0997 0.6384 0.3592 0.023 Uiso 1 1 calc R U . . .
C13 C 0.88719(19) 0.45655(9) 0.43363(5) 0.0163(3) Uani 1 1 d . . . . .
H13A H 0.9370 0.4244 0.4562 0.020 Uiso 1 1 calc R U . . .
H13B H 0.9780 0.4816 0.4176 0.020 Uiso 1 1 calc R U . . .
C17 C 0.8608(2) 0.60747(9) 0.45121(5) 0.0195(3) Uani 1 1 d . . . . .
H17A H 0.8890 0.6213 0.4227 0.029 Uiso 1 1 calc R U . . .
H17B H 0.9620 0.6050 0.4678 0.029 Uiso 1 1 calc R U . . .
H17C H 0.7867 0.6489 0.4625 0.029 Uiso 1 1 calc R U . . .
C18 C 0.7233(2) 0.50490(10) 0.49661(5) 0.0191(3) Uani 1 1 d . . . . .
H18A H 0.6433 0.5453 0.5063 0.029 Uiso 1 1 calc R U . . .
H18B H 0.8214 0.5060 0.5143 0.029 Uiso 1 1 calc R U . . .
H18C H 0.6730 0.4509 0.4976 0.029 Uiso 1 1 calc R U . . .
C9 C 0.9044(2) 0.55623(9) 0.28949(5) 0.0193(3) Uani 1 1 d . . . . .
C6 C 1.0581(2) 0.43805(10) 0.26712(5) 0.0205(3) Uani 1 1 d . . . . .
H6 H 1.1276 0.4112 0.2479 0.025 Uiso 1 1 calc R U . . .
C19 C 0.4593(2) 0.38666(9) 0.34328(5) 0.0198(3) Uani 1 1 d . . . . .
H19A H 0.5585 0.3552 0.3365 0.030 Uiso 1 1 calc R U . . .
H19B H 0.4135 0.4105 0.3181 0.030 Uiso 1 1 calc R U . . .
H19C H 0.3767 0.3510 0.3559 0.030 Uiso 1 1 calc R U . . .
C11 C 0.7334(2) 0.32008(9) 0.42693(5) 0.0201(3) Uani 1 1 d . . . . .
H11A H 0.6793 0.3331 0.4531 0.030 Uiso 1 1 calc R U . . .
H11B H 0.8328 0.2876 0.4322 0.030 Uiso 1 1 calc R U . . .
H11C H 0.6570 0.2892 0.4095 0.030 Uiso 1 1 calc R U . . .
C7 C 1.0066(2) 0.51685(10) 0.26075(5) 0.0224(4) Uani 1 1 d . . . . .
H7 H 1.0408 0.5448 0.2366 0.027 Uiso 1 1 calc R U . . .
C10 C 0.7675(2) 0.67945(9) 0.30790(5) 0.0246(4) Uani 1 1 d . . . . .
H10A H 0.6613 0.6516 0.3115 0.037 Uiso 1 1 calc R U . . .
H10B H 0.7480 0.7344 0.2974 0.037 Uiso 1 1 calc R U . . .
H10C H 0.8249 0.6825 0.3344 0.037 Uiso 1 1 calc R U . . .
C1 C 1.1391(2) 0.26227(10) 0.29630(5) 0.0242(4) Uani 1 1 d . . . . .
H1A H 1.0791 0.2440 0.2718 0.036 Uiso 1 1 calc R U . . .
H1B H 1.1590 0.2159 0.3146 0.036 Uiso 1 1 calc R U . . .
H1C H 1.2453 0.2860 0.2881 0.036 Uiso 1 1 calc R U . . .
C26 C 0.2380(2) 0.78147(10) 0.44732(6) 0.0309(4) Uani 1 1 d . . . . .
H26A H 0.2342 0.7481 0.4723 0.046 Uiso 1 1 calc R U . . .
H26B H 0.1661 0.8288 0.4508 0.046 Uiso 1 1 calc R U . . .
H26C H 0.3519 0.7996 0.4425 0.046 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 C25 1.3852(18) . ?
O1 C26 1.418(2) . ?
O2 C9 1.3859(18) . ?
O2 C10 1.4191(19) . ?
N2 C14 1.3746(19) . ?
N2 C20 1.3878(18) . ?
N2 C19 1.4546(18) . ?
N1 C4 1.376(2) . ?
N1 C2 1.3814(19) . ?
N1 C1 1.4528(19) . ?
C21 C22 1.414(2) . ?
C21 C20 1.420(2) . ?
C21 C15 1.433(2) . ?
C3 C2 1.413(2) . ?
C3 C8 1.414(2) . ?
C3 C5 1.437(2) . ?
C14 C15 1.362(2) . ?
C14 C12 1.504(2) . ?
C15 C16 1.512(2) . ?
C20 C23 1.396(2) . ?
C5 C4 1.374(2) . ?
C5 C12 1.515(2) . ?
C2 C6 1.396(2) . ?
C4 H4 0.9500 . ?
C8 C9 1.378(2) . ?
C8 H8 0.9500 . ?
C23 C24 1.379(2) . ?
C23 H23 0.9500 . ?
C22 C25 1.386(2) . ?
C22 H22 0.9500 . ?
C12 C11 1.5406(19) . ?
C12 C13 1.577(2) . ?
C25 C24 1.401(2) . ?
C16 C18 1.534(2) . ?
C16 C17 1.536(2) . ?
C16 C13 1.569(2) . ?
C24 H24 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C9 C7 1.405(2) . ?
C6 C7 1.380(2) . ?
C6 H6 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C7 H7 0.9500 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?

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
C25 O1 C26 117.54(12) . . ?
C9 O2 C10 116.83(12) . . ?
C14 N2 C20 107.02(12) . . ?
C14 N2 C19 127.51(13) . . ?
C20 N2 C19 125.33(13) . . ?
C4 N1 C2 108.26(12) . . ?
C4 N1 C1 126.56(13) . . ?
C2 N1 C1 125.09(13) . . ?
C22 C21 C20 119.17(13) . . ?
C22 C21 C15 135.38(14) . . ?
C20 C21 C15 105.45(12) . . ?
C2 C3 C8 119.28(14) . . ?
C2 C3 C5 107.34(13) . . ?
C8 C3 C5 133.32(14) . . ?
C15 C14 N2 111.03(13) . . ?
C15 C14 C12 115.64(13) . . ?
N2 C14 C12 133.28(13) . . ?
C14 C15 C21 107.46(13) . . ?
C14 C15 C16 111.94(13) . . ?
C21 C15 C16 140.58(13) . . ?
N2 C20 C23 129.00(13) . . ?
N2 C20 C21 109.04(13) . . ?
C23 C20 C21 121.95(13) . . ?
C4 C5 C3 105.88(13) . . ?
C4 C5 C12 127.84(13) . . ?
C3 C5 C12 126.05(13) . . ?
N1 C2 C6 130.01(14) . . ?
N1 C2 C3 107.75(13) . . ?
C6 C2 C3 122.19(14) . . ?
N1 C4 C5 110.77(13) . . ?
N1 C4 H4 124.6 . . ?
C5 C4 H4 124.6 . . ?
C9 C8 C3 117.81(14) . . ?
C9 C8 H8 121.1 . . ?
C3 C8 H8 121.1 . . ?
C24 C23 C20 117.73(14) . . ?
C24 C23 H23 121.1 . . ?
C20 C23 H23 121.1 . . ?
C25 C22 C21 118.01(14) . . ?
C25 C22 H22 121.0 . . ?
C21 C22 H22 121.0 . . ?
C14 C12 C5 113.03(12) . . ?
C14 C12 C11 110.98(12) . . ?
C5 C12 C11 111.22(12) . . ?
C14 C12 C13 98.69(11) . . ?
C5 C12 C13 110.70(12) . . ?
C11 C12 C13 111.66(12) . . ?
C22 C25 O1 124.48(14) . . ?
C22 C25 C24 121.83(14) . . ?
O1 C25 C24 113.68(13) . . ?
C15 C16 C18 111.82(12) . . ?
C15 C16 C17 112.62(12) . . ?
C18 C16 C17 109.23(12) . . ?
C15 C16 C13 100.38(11) . . ?
C18 C16 C13 111.42(12) . . ?
C17 C16 C13 111.17(12) . . ?
C23 C24 C25 121.30(14) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 H24 119.4 . . ?
C16 C13 C12 110.09(12) . . ?
C16 C13 H13A 109.6 . . ?
C12 C13 H13A 109.6 . . ?
C16 C13 H13B 109.6 . . ?
C12 C13 H13B 109.6 . . ?
H13A C13 H13B 108.2 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C8 C9 O2 123.47(14) . . ?
C8 C9 C7 122.27(14) . . ?
O2 C9 C7 114.26(13) . . ?
C7 C6 C2 117.60(14) . . ?
C7 C6 H6 121.2 . . ?
C2 C6 H6 121.2 . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C6 C7 C9 120.84(14) . . ?
C6 C7 H7 119.6 . . ?
C9 C7 H7 119.6 . . ?
O2 C10 H10A 109.5 . . ?
O2 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
O2 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C1 H1A 109.5 . . ?
N1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
N1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C26 H26A 109.5 . . ?
O1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O1 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
C20 N2 C14 C15 0.55(16) . . . . ?
C19 N2 C14 C15 -175.27(14) . . . . ?
C20 N2 C14 C12 -176.72(15) . . . . ?
C19 N2 C14 C12 7.5(3) . . . . ?
N2 C14 C15 C21 -0.31(17) . . . . ?
C12 C14 C15 C21 177.48(12) . . . . ?
N2 C14 C15 C16 -179.01(12) . . . . ?
C12 C14 C15 C16 -1.22(18) . . . . ?
C22 C21 C15 C14 -179.36(16) . . . . ?
C20 C21 C15 C14 -0.04(16) . . . . ?
C22 C21 C15 C16 -1.3(3) . . . . ?
C20 C21 C15 C16 178.06(17) . . . . ?
C14 N2 C20 C23 178.24(15) . . . . ?
C19 N2 C20 C23 -5.8(2) . . . . ?
C14 N2 C20 C21 -0.56(16) . . . . ?
C19 N2 C20 C21 175.38(13) . . . . ?
C22 C21 C20 N2 179.83(13) . . . . ?
C15 C21 C20 N2 0.37(16) . . . . ?
C22 C21 C20 C23 0.9(2) . . . . ?
C15 C21 C20 C23 -178.53(13) . . . . ?
C2 C3 C5 C4 0.14(16) . . . . ?
C8 C3 C5 C4 -177.12(16) . . . . ?
C2 C3 C5 C12 174.93(14) . . . . ?
C8 C3 C5 C12 -2.3(3) . . . . ?
C4 N1 C2 C6 177.69(16) . . . . ?
C1 N1 C2 C6 -5.6(3) . . . . ?
C4 N1 C2 C3 0.26(16) . . . . ?
C1 N1 C2 C3 177.00(14) . . . . ?
C8 C3 C2 N1 177.47(13) . . . . ?
C5 C3 C2 N1 -0.25(16) . . . . ?
C8 C3 C2 C6 -0.2(2) . . . . ?
C5 C3 C2 C6 -177.92(14) . . . . ?
C2 N1 C4 C5 -0.18(17) . . . . ?
C1 N1 C4 C5 -176.86(14) . . . . ?
C3 C5 C4 N1 0.02(17) . . . . ?
C12 C5 C4 N1 -174.64(14) . . . . ?
C2 C3 C8 C9 -0.3(2) . . . . ?
C5 C3 C8 C9 176.66(16) . . . . ?
N2 C20 C23 C24 -179.03(14) . . . . ?
C21 C20 C23 C24 -0.4(2) . . . . ?
C20 C21 C22 C25 -0.6(2) . . . . ?
C15 C21 C22 C25 178.65(16) . . . . ?
C15 C14 C12 C5 -126.77(14) . . . . ?
N2 C14 C12 C5 50.4(2) . . . . ?
C15 C14 C12 C11 107.49(15) . . . . ?
N2 C14 C12 C11 -75.3(2) . . . . ?
C15 C14 C12 C13 -9.80(16) . . . . ?
N2 C14 C12 C13 167.36(15) . . . . ?
C4 C5 C12 C14 -149.51(15) . . . . ?
C3 C5 C12 C14 36.8(2) . . . . ?
C4 C5 C12 C11 -23.9(2) . . . . ?
C3 C5 C12 C11 162.46(14) . . . . ?
C4 C5 C12 C13 100.85(17) . . . . ?
C3 C5 C12 C13 -72.80(18) . . . . ?
C21 C22 C25 O1 -178.95(13) . . . . ?
C21 C22 C25 C24 -0.2(2) . . . . ?
C26 O1 C25 C22 -6.0(2) . . . . ?
C26 O1 C25 C24 175.20(14) . . . . ?
C14 C15 C16 C18 -106.54(14) . . . . ?
C21 C15 C16 C18 75.4(2) . . . . ?
C14 C15 C16 C17 130.01(14) . . . . ?
C21 C15 C16 C17 -48.0(2) . . . . ?
C14 C15 C16 C13 11.71(15) . . . . ?
C21 C15 C16 C13 -166.34(18) . . . . ?
C20 C23 C24 C25 -0.5(2) . . . . ?
C22 C25 C24 C23 0.8(2) . . . . ?
O1 C25 C24 C23 179.66(13) . . . . ?
C15 C16 C13 C12 -17.82(14) . . . . ?
C18 C16 C13 C12 100.72(14) . . . . ?
C17 C16 C13 C12 -137.18(12) . . . . ?
C14 C12 C13 C16 16.91(14) . . . . ?
C5 C12 C13 C16 135.65(12) . . . . ?
C11 C12 C13 C16 -99.86(14) . . . . ?
C3 C8 C9 O2 -178.48(14) . . . . ?
C3 C8 C9 C7 0.9(2) . . . . ?
C10 O2 C9 C8 1.2(2) . . . . ?
C10 O2 C9 C7 -178.17(14) . . . . ?
N1 C2 C6 C7 -176.89(15) . . . . ?
C3 C2 C6 C7 0.2(2) . . . . ?
C2 C6 C7 C9 0.3(2) . . . . ?
C8 C9 C7 C6 -0.9(3) . . . . ?
O2 C9 C7 C6 178.52(15) . . . . ?

_refine_diff_density_max         0.245
_refine_diff_density_min         -0.192
_refine_diff_density_rms         0.043

