# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_KB823_0m
_database_code_depnum_ccdc_archive 'CCDC 2360230'
loop_
_audit_author_name
_audit_author_address
'Balasubramanian Sridhar'
;Indian Institute of Chemical Technology
India
;
_audit_update_record             
;
2024-06-03 deposited with the CCDC.	2024-07-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H29 N O3'
_chemical_formula_sum            'C26 H29 N O3'
_chemical_formula_weight         403.50

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                   21.6934(12)
_cell_length_b                   9.8813(12)
_cell_length_c                   10.474(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.399(6)
_cell_angle_gamma                90
_cell_volume                     2201.0(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    6184
_cell_measurement_theta_min      2.2725
_cell_measurement_theta_max      24.662

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_F_000             864
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.079
_shelx_estimated_absorpt_T_min   0.980
_shelx_estimated_absorpt_T_max   0.986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6674
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;

_diffrn_ambient_temperature      294(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-100'
_diffrn_measurement_method       'ω and φ'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25218
_diffrn_reflns_av_unetI/netI     0.0879
_diffrn_reflns_av_R_equivalents  0.0588
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.273
_diffrn_reflns_theta_max         30.502
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             6461
_reflns_number_gt                2825
_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       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0586P)²+0.0677P] 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         6461
_refine_ls_number_parameters     273
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1669
_refine_ls_R_factor_gt           0.0632
_refine_ls_wR_factor_ref         0.1473
_refine_ls_wR_factor_gt          0.1164
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_restrained_S_all      0.994
_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
C1 C 0.34151(7) 0.42151(13) 0.48294(14) 0.0395(4) Uani 1 1 d . . . . .
C2 C 0.34327(8) 0.35714(15) 0.59764(15) 0.0492(4) Uani 1 1 d . . . . .
H2 H 0.313090 0.291446 0.602272 0.059 Uiso 1 1 calc R U . . .
C3 C 0.38918(8) 0.38545(17) 0.71132(17) 0.0558(4) Uani 1 1 d . . . . .
C4 C 0.43324(7) 0.55029(14) 0.58742(14) 0.0421(4) Uani 1 1 d . . . . .
C5 C 0.47954(7) 0.64526(16) 0.58837(16) 0.0507(4) Uani 1 1 d . . . . .
H5 H 0.510039 0.659834 0.662983 0.061 Uiso 1 1 calc R U . . .
C6 C 0.47993(8) 0.71820(16) 0.47712(18) 0.0560(4) Uani 1 1 d . . . . .
H6 H 0.510716 0.783587 0.476616 0.067 Uiso 1 1 calc R U . . .
C7 C 0.43514(8) 0.69556(16) 0.36603(16) 0.0541(4) Uani 1 1 d . . . . .
H7 H 0.435931 0.746618 0.291789 0.065 Uiso 1 1 calc R U . . .
C8 C 0.38895(7) 0.59803(14) 0.36307(14) 0.0426(4) Uani 1 1 d . . . . .
C9 C 0.38785(7) 0.52479(13) 0.47632(13) 0.0376(3) Uani 1 1 d . . . . .
C10 C 0.34039(7) 0.57146(14) 0.24040(14) 0.0456(4) Uani 1 1 d . . . . .
C11 C 0.29374(8) 0.46015(15) 0.25496(15) 0.0462(4) Uani 1 1 d . . . . .
C12 C 0.37358(9) 0.52546(18) 0.12974(16) 0.0653(5) Uani 1 1 d . . . . .
H12A H 0.342697 0.509642 0.051947 0.098 Uiso 1 1 calc R U . . .
H12B H 0.396508 0.443480 0.155022 0.098 Uiso 1 1 calc R U . . .
H12C H 0.402122 0.594749 0.113662 0.098 Uiso 1 1 calc R U . . .
C13 C 0.30184(8) 0.70085(16) 0.19849(16) 0.0580(5) Uani 1 1 d . . . . .
H13A H 0.329818 0.769365 0.175692 0.070 Uiso 1 1 calc R U . . .
H13B H 0.270714 0.680834 0.120754 0.070 Uiso 1 1 calc R U . . .
C14 C 0.26855(9) 0.75882(17) 0.30010(17) 0.0633(5) Uani 1 1 d . . . . .
H14A H 0.299722 0.781738 0.376930 0.076 Uiso 1 1 calc R U . . .
H14B H 0.241429 0.689666 0.324875 0.076 Uiso 1 1 calc R U . . .
C15 C 0.22909(11) 0.88432(19) 0.2556(3) 0.0934(7) Uani 1 1 d . . . . .
H15A H 0.217395 0.926366 0.331007 0.112 Uiso 1 1 calc R U . . .
H15B H 0.254771 0.948495 0.219245 0.112 Uiso 1 1 calc R U . . .
C16 C 0.16980(11) 0.8566(2) 0.1551(2) 0.1019(8) Uani 1 1 d . . . . .
H16A H 0.150375 0.942155 0.124659 0.122 Uiso 1 1 calc R U . . .
H16B H 0.181142 0.810963 0.081049 0.122 Uiso 1 1 calc R U . . .
C17 C 0.12282(9) 0.7716(2) 0.2065(2) 0.0714(5) Uani 1 1 d . . . . .
C18 C 0.11305(11) 0.6367(2) 0.1745(2) 0.0871(6) Uani 1 1 d . . . . .
H18 H 0.135592 0.596177 0.117922 0.105 Uiso 1 1 calc R U . . .
C19 C 0.06995(13) 0.5613(2) 0.2258(3) 0.1006(7) Uani 1 1 d . . . . .
H19 H 0.063613 0.470742 0.202636 0.121 Uiso 1 1 calc R U . . .
C20 C 0.03709(11) 0.6170(3) 0.3089(3) 0.1008(7) Uani 1 1 d . . . . .
H20 H 0.008352 0.565426 0.343023 0.121 Uiso 1 1 calc R U . . .
C21 C 0.04626(11) 0.7485(3) 0.3421(3) 0.1037(8) Uani 1 1 d . . . . .
H21 H 0.023829 0.787681 0.399646 0.124 Uiso 1 1 calc R U . . .
C22 C 0.08862(11) 0.8248(2) 0.2913(2) 0.0906(7) Uani 1 1 d . . . . .
H22 H 0.094238 0.915270 0.315232 0.109 Uiso 1 1 calc R U . . .
C23 C 0.25163(7) 0.28253(15) 0.37439(15) 0.0504(4) Uani 1 1 d . . . . .
H23A H 0.272614 0.209020 0.427148 0.061 Uiso 1 1 calc R U . . .
H23B H 0.237640 0.248509 0.286569 0.061 Uiso 1 1 calc R U . . .
C24 C 0.19499(8) 0.32525(16) 0.42776(16) 0.0546(4) Uani 1 1 d . . . . .
H24A H 0.176410 0.404861 0.381252 0.066 Uiso 1 1 calc R U . . .
H24B H 0.208218 0.349366 0.518829 0.066 Uiso 1 1 calc R U . . .
C25 C 0.14613(8) 0.21451(19) 0.41528(17) 0.0667(5) Uani 1 1 d . . . . .
H25A H 0.129743 0.197823 0.323592 0.080 Uiso 1 1 calc R U . . .
H25B H 0.166230 0.131967 0.452598 0.080 Uiso 1 1 calc R U . . .
C26 C 0.09230(10) 0.2466(3) 0.4807(2) 0.0989(7) Uani 1 1 d . . . . .
H26A H 0.073156 0.330209 0.447014 0.148 Uiso 1 1 calc R U . . .
H26B H 0.107525 0.254961 0.572849 0.148 Uiso 1 1 calc R U . . .
H26C H 0.061770 0.175166 0.464096 0.148 Uiso 1 1 calc R U . . .
N1 N 0.29711(6) 0.39276(11) 0.37175(11) 0.0422(3) Uani 1 1 d . . . . .
O1 O 0.39316(6) 0.33226(14) 0.81691(12) 0.0840(4) Uani 1 1 d . . . . .
O2 O 0.43388(5) 0.48248(11) 0.70263(9) 0.0534(3) Uani 1 1 d . . . . .
O3 O 0.25315(6) 0.42942(11) 0.16132(11) 0.0651(4) Uani 1 1 d . . . . .


_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
C1 C2 1.353(2) . ?
C1 N1 1.3862(18) . ?
C1 C9 1.4437(19) . ?
C2 C3 1.421(2) . ?
C2 H2 0.9300 . ?
C3 O1 1.2121(18) . ?
C3 O2 1.3794(19) . ?
C4 C5 1.373(2) . ?
C4 O2 1.3780(17) . ?
C4 C9 1.391(2) . ?
C5 C6 1.372(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.379(2) . ?
C6 H6 0.9300 . ?
C7 C8 1.386(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.3938(19) . ?
C8 C10 1.515(2) . ?
C10 C11 1.523(2) . ?
C10 C13 1.543(2) . ?
C10 C12 1.549(2) . ?
C11 O3 1.2199(17) . ?
C11 N1 1.3821(18) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.512(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.527(3) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.517(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.500(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C22 1.370(3) . ?
C17 C18 1.380(3) . ?
C18 C19 1.385(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.347(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.350(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.374(3) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 N1 1.4735(18) . ?
C23 C24 1.507(2) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 C25 1.511(2) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.500(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
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
C2 C1 N1 122.86(14) . . ?
C2 C1 C9 118.50(14) . . ?
N1 C1 C9 118.64(12) . . ?
C1 C2 C3 122.92(15) . . ?
C1 C2 H2 118.5 . . ?
C3 C2 H2 118.5 . . ?
O1 C3 O2 115.94(16) . . ?
O1 C3 C2 126.23(17) . . ?
O2 C3 C2 117.84(14) . . ?
C5 C4 O2 116.44(14) . . ?
C5 C4 C9 121.72(14) . . ?
O2 C4 C9 121.83(13) . . ?
C6 C5 C4 118.70(15) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C5 C6 C7 120.67(15) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C6 C7 C8 121.16(15) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C7 C8 C9 118.42(14) . . ?
C7 C8 C10 121.19(13) . . ?
C9 C8 C10 120.39(13) . . ?
C4 C9 C8 119.31(13) . . ?
C4 C9 C1 118.19(13) . . ?
C8 C9 C1 122.49(14) . . ?
C8 C10 C11 113.88(12) . . ?
C8 C10 C13 110.15(12) . . ?
C11 C10 C13 107.06(13) . . ?
C8 C10 C12 109.73(13) . . ?
C11 C10 C12 106.23(12) . . ?
C13 C10 C12 109.65(13) . . ?
O3 C11 N1 119.69(14) . . ?
O3 C11 C10 119.20(14) . . ?
N1 C11 C10 121.11(14) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C10 114.90(13) . . ?
C14 C13 H13A 108.5 . . ?
C10 C13 H13A 108.5 . . ?
C14 C13 H13B 108.5 . . ?
C10 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
C13 C14 C15 114.18(16) . . ?
C13 C14 H14A 108.7 . . ?
C15 C14 H14A 108.7 . . ?
C13 C14 H14B 108.7 . . ?
C15 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C16 C15 C14 114.37(17) . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15B 108.7 . . ?
C14 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C17 C16 C15 113.28(18) . . ?
C17 C16 H16A 108.9 . . ?
C15 C16 H16A 108.9 . . ?
C17 C16 H16B 108.9 . . ?
C15 C16 H16B 108.9 . . ?
H16A C16 H16B 107.7 . . ?
C22 C17 C18 116.8(2) . . ?
C22 C17 C16 120.7(2) . . ?
C18 C17 C16 122.4(2) . . ?
C17 C18 C19 120.6(2) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 121.0(2) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C19 C20 C21 119.4(2) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
C20 C21 C22 120.2(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C17 C22 C21 122.0(2) . . ?
C17 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
N1 C23 C24 113.44(12) . . ?
N1 C23 H23A 108.9 . . ?
C24 C23 H23A 108.9 . . ?
N1 C23 H23B 108.9 . . ?
C24 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 C25 111.99(14) . . ?
C23 C24 H24A 109.2 . . ?
C25 C24 H24A 109.2 . . ?
C23 C24 H24B 109.2 . . ?
C25 C24 H24B 109.2 . . ?
H24A C24 H24B 107.9 . . ?
C26 C25 C24 113.80(16) . . ?
C26 C25 H25A 108.8 . . ?
C24 C25 H25A 108.8 . . ?
C26 C25 H25B 108.8 . . ?
C24 C25 H25B 108.8 . . ?
H25A C25 H25B 107.7 . . ?
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 . . ?
C11 N1 C1 123.46(12) . . ?
C11 N1 C23 117.01(13) . . ?
C1 N1 C23 119.50(12) . . ?
C4 O2 C3 120.68(12) . . ?

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
N1 C1 C2 C3 179.29(13) . . . . ?
C9 C1 C2 C3 -0.8(2) . . . . ?
C1 C2 C3 O1 179.54(16) . . . . ?
C1 C2 C3 O2 -0.4(2) . . . . ?
O2 C4 C5 C6 -178.22(13) . . . . ?
C9 C4 C5 C6 1.3(2) . . . . ?
C4 C5 C6 C7 -0.7(2) . . . . ?
C5 C6 C7 C8 -0.6(2) . . . . ?
C6 C7 C8 C9 1.4(2) . . . . ?
C6 C7 C8 C10 -178.95(14) . . . . ?
C5 C4 C9 C8 -0.5(2) . . . . ?
O2 C4 C9 C8 178.99(12) . . . . ?
C5 C4 C9 C1 178.88(12) . . . . ?
O2 C4 C9 C1 -1.66(19) . . . . ?
C7 C8 C9 C4 -0.8(2) . . . . ?
C10 C8 C9 C4 179.49(12) . . . . ?
C7 C8 C9 C1 179.82(13) . . . . ?
C10 C8 C9 C1 0.2(2) . . . . ?
C2 C1 C9 C4 1.86(19) . . . . ?
N1 C1 C9 C4 -178.27(12) . . . . ?
C2 C1 C9 C8 -178.80(13) . . . . ?
N1 C1 C9 C8 1.07(19) . . . . ?
C7 C8 C10 C11 179.54(13) . . . . ?
C9 C8 C10 C11 -0.81(19) . . . . ?
C7 C8 C10 C13 -60.18(18) . . . . ?
C9 C8 C10 C13 119.48(14) . . . . ?
C7 C8 C10 C12 60.63(18) . . . . ?
C9 C8 C10 C12 -119.72(15) . . . . ?
C8 C10 C11 O3 -179.01(13) . . . . ?
C13 C10 C11 O3 58.98(17) . . . . ?
C12 C10 C11 O3 -58.12(18) . . . . ?
C8 C10 C11 N1 0.29(19) . . . . ?
C13 C10 C11 N1 -121.72(14) . . . . ?
C12 C10 C11 N1 121.18(15) . . . . ?
C8 C10 C13 C14 -57.38(18) . . . . ?
C11 C10 C13 C14 66.93(17) . . . . ?
C12 C10 C13 C14 -178.23(14) . . . . ?
C10 C13 C14 C15 -178.27(15) . . . . ?
C13 C14 C15 C16 71.2(2) . . . . ?
C14 C15 C16 C17 65.4(3) . . . . ?
C15 C16 C17 C22 73.2(2) . . . . ?
C15 C16 C17 C18 -104.9(2) . . . . ?
C22 C17 C18 C19 0.7(3) . . . . ?
C16 C17 C18 C19 178.9(2) . . . . ?
C17 C18 C19 C20 -0.6(4) . . . . ?
C18 C19 C20 C21 0.2(4) . . . . ?
C19 C20 C21 C22 0.2(4) . . . . ?
C18 C17 C22 C21 -0.3(3) . . . . ?
C16 C17 C22 C21 -178.6(2) . . . . ?
C20 C21 C22 C17 -0.1(4) . . . . ?
N1 C23 C24 C25 173.68(13) . . . . ?
C23 C24 C25 C26 173.41(16) . . . . ?
O3 C11 N1 C1 -179.75(13) . . . . ?
C10 C11 N1 C1 1.0(2) . . . . ?
O3 C11 N1 C23 2.0(2) . . . . ?
C10 C11 N1 C23 -177.33(12) . . . . ?
C2 C1 N1 C11 178.22(13) . . . . ?
C9 C1 N1 C11 -1.64(19) . . . . ?
C2 C1 N1 C23 -3.5(2) . . . . ?
C9 C1 N1 C23 176.60(12) . . . . ?
C24 C23 N1 C11 -97.61(15) . . . . ?
C24 C23 N1 C1 84.04(17) . . . . ?
C5 C4 O2 C3 179.86(13) . . . . ?
C9 C4 O2 C3 0.37(19) . . . . ?
O1 C3 O2 C4 -179.28(13) . . . . ?
C2 C3 O2 C4 0.7(2) . . . . ?

_refine_diff_density_max         0.179
_refine_diff_density_min         -0.129
_refine_diff_density_rms         0.028

