# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_xxx
_database_code_depnum_ccdc_archive 'CCDC 2408896'
loop_
_audit_author_name
_audit_author_address
'Dr. Ruchir Kant'
;CSIR CDRI, Lucknow
India
;
_audit_update_record             
;
2024-12-10 deposited with the CCDC.	2025-03-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H26 N2 O5'
_chemical_formula_weight         446.49

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
#===============================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_Int_Tables_number      14

loop_
_symmetry_equiv_pos_as_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                   9.5806(2)
_cell_length_b                   9.2512(2)
_cell_length_c                   25.9330(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.395(2)
_cell_angle_gamma                90.00
_cell_volume                     2297.81(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    8055
_cell_measurement_theta_min      3.4040
_cell_measurement_theta_max      76.6600

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             944
_exptl_absorpt_coefficient_mu    0.735
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.9302
_exptl_absorpt_correction_T_max  0.9712
#===============================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_type            HyPix
_diffrn_detector_area_resol_mean 10.0000

_diffrn_reflns_number            14941
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         3.41
_diffrn_reflns_theta_max         77.94
_reflns_number_total             4575
_reflns_number_gt                3596
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlisPro 1.171.42.67a (Rigaku OD, 2022)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.67a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.67a (Rigaku OD, 2022)'



_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'PLATON (Spek, 2003)'
#===============================================================================

# 8. REFINEMENT DATA


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0965P)²+0.7786P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0041(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4575
_refine_ls_number_parameters     301
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0766
_refine_ls_R_factor_gt           0.0641
_refine_ls_wR_factor_ref         0.1989
_refine_ls_wR_factor_gt          0.1855
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.090
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
#===============================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS


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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.3195(6) 0.6566(9) 0.3671(3) 0.234(4) Uani 1 1 d . . .
H70A H 1.3241 0.6087 0.3343 0.351 Uiso 1 1 calc R . .
H70B H 1.4098 0.6947 0.3764 0.351 Uiso 1 1 calc R . .
H70C H 1.2531 0.7342 0.3647 0.351 Uiso 1 1 calc R . .
C2 C 1.2780(3) 0.5578(4) 0.40453(15) 0.1016(11) Uani 1 1 d . . .
H32A H 1.2788 0.6079 0.4374 0.122 Uiso 1 1 calc R . .
H32B H 1.3488 0.4830 0.4070 0.122 Uiso 1 1 calc R . .
C3 C 1.1381(3) 0.4842(3) 0.39801(10) 0.0692(6) Uani 1 1 d . . .
C4 C 1.0732(3) 0.4238(3) 0.43964(10) 0.0800(8) Uani 1 1 d . . .
H3 H 1.1179 0.4269 0.4719 0.096 Uiso 1 1 calc R . .
C5 C 0.9443(3) 0.3591(3) 0.43502(10) 0.0741(7) Uani 1 1 d . . .
H2 H 0.9023 0.3218 0.4641 0.089 Uiso 1 1 calc R . .
C6 C 0.8761(2) 0.3492(2) 0.38715(9) 0.0569(5) Uani 1 1 d . . .
C7 C 0.9429(2) 0.4049(3) 0.34485(9) 0.0606(6) Uani 1 1 d . . .
H6 H 0.9010 0.3965 0.3123 0.073 Uiso 1 1 calc R . .
C8 C 1.0706(2) 0.4726(3) 0.35023(10) 0.0656(6) Uani 1 1 d . . .
H5 H 1.1123 0.5112 0.3213 0.079 Uiso 1 1 calc R . .
C9 C 0.7376(2) 0.2832(2) 0.38198(8) 0.0552(5) Uani 1 1 d . . .
C10 C 0.6604(2) 0.2256(2) 0.34222(8) 0.0511(5) Uani 1 1 d . . .
C11 C 0.5338(2) 0.1717(2) 0.36366(8) 0.0531(5) Uani 1 1 d . . .
C12 C 0.5399(2) 0.2013(3) 0.41511(9) 0.0592(5) Uani 1 1 d . . .
C13 C 0.4454(3) 0.1827(3) 0.45754(9) 0.0684(6) Uani 1 1 d . . .
C14 C 0.3473(3) 0.0732(4) 0.45758(11) 0.0867(8) Uani 1 1 d . . .
H21 H 0.3397 0.0111 0.4295 0.104 Uiso 1 1 calc R . .
C15 C 0.2599(4) 0.0547(5) 0.49895(13) 0.1122(13) Uani 1 1 d . . .
H22 H 0.1948 -0.0200 0.4982 0.135 Uiso 1 1 calc R . .
C16 C 0.2678(4) 0.1446(6) 0.54095(13) 0.1239(16) Uani 1 1 d . . .
C17 C 0.3638(4) 0.2555(6) 0.54026(13) 0.1202(15) Uani 1 1 d . . .
H18 H 0.3692 0.3188 0.5681 0.144 Uiso 1 1 calc R . .
C18 C 0.4518(3) 0.2757(4) 0.49971(11) 0.0905(9) Uani 1 1 d . . .
H19 H 0.5156 0.3515 0.5005 0.109 Uiso 1 1 calc R . .
C19 C 0.1741(5) 0.1087(9) 0.58763(18) 0.176(3) Uani 1 1 d . . .
H68A H 0.1699 0.0045 0.5914 0.211 Uiso 1 1 calc R . .
H68B H 0.2185 0.1474 0.6187 0.211 Uiso 1 1 calc R . .
C20 C 0.0538(6) 0.1557(11) 0.5845(2) 0.224(4) Uani 1 1 d . . .
H69A H 0.0560 0.2574 0.5771 0.336 Uiso 1 1 calc R . .
H69B H 0.0081 0.1399 0.6165 0.336 Uiso 1 1 calc R . .
H69C H 0.0035 0.1064 0.5572 0.336 Uiso 1 1 calc R . .
C21 C 0.2864(2) 0.1818(3) 0.32832(11) 0.0707(7) Uani 1 1 d . . .
H13A H 0.2981 0.2745 0.3115 0.085 Uiso 1 1 calc R . .
H13B H 0.2384 0.1957 0.3605 0.085 Uiso 1 1 calc R . .
C22 C 0.2106(3) 0.0767(4) 0.29388(13) 0.0931(10) Uani 1 1 d . . .
H14A H 0.1409 0.0242 0.3129 0.112 Uiso 1 1 calc R . .
H14B H 0.1645 0.1267 0.2653 0.112 Uiso 1 1 calc R . .
C23 C 0.4354(3) 0.0005(3) 0.30211(10) 0.0645(6) Uani 1 1 d . . .
C24 C 0.6200(2) 0.2516(2) 0.25026(8) 0.0565(5) Uani 1 1 d . . .
C25 C 0.8073(3) 0.1314(3) 0.21820(10) 0.0696(7) Uani 1 1 d . . .
H28A H 0.8851 0.1905 0.2075 0.084 Uiso 1 1 calc R . .
H28B H 0.8117 0.0387 0.2009 0.084 Uiso 1 1 calc R . .
C26 C 0.8110(3) 0.1118(3) 0.27573(10) 0.0691(6) Uani 1 1 d . . .
H27A H 0.7883 0.0134 0.2853 0.083 Uiso 1 1 calc R . .
H27B H 0.9015 0.1374 0.2907 0.083 Uiso 1 1 calc R . .
N1 N 0.70317(18) 0.21281(19) 0.29103(7) 0.0523(4) Uani 1 1 d . . .
N2 N 0.41999(17) 0.10839(19) 0.33663(7) 0.0545(4) Uani 1 1 d . . .
O1 O 0.66412(16) 0.26984(19) 0.42650(6) 0.0640(4) Uani 1 1 d . . .
O2 O 0.6766(2) 0.20240(19) 0.20659(6) 0.0720(5) Uani 1 1 d . . .
O3 O 0.51359(18) 0.3203(2) 0.25094(7) 0.0746(5) Uani 1 1 d . . .
O4 O 0.31519(19) -0.0202(2) 0.27541(8) 0.0880(6) Uani 1 1 d . . .
O5 O 0.5379(2) -0.0699(2) 0.29447(9) 0.0906(6) 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 1.399(7) . ?
C1 H70A 0.9600 . ?
C1 H70B 0.9600 . ?
C1 H70C 0.9600 . ?
C2 C3 1.509(4) . ?
C2 H32A 0.9700 . ?
C2 H32B 0.9700 . ?
C3 C4 1.377(4) . ?
C3 C8 1.388(3) . ?
C4 C5 1.375(4) . ?
C4 H3 0.9300 . ?
C5 C6 1.391(3) . ?
C5 H2 0.9300 . ?
C6 C7 1.383(3) . ?
C6 C9 1.463(3) . ?
C7 C8 1.378(3) . ?
C7 H6 0.9300 . ?
C8 H5 0.9300 . ?
C9 C10 1.363(3) . ?
C9 O1 1.373(3) . ?
C10 N1 1.404(3) . ?
C10 C11 1.436(3) . ?
C11 C12 1.362(3) . ?
C11 N2 1.409(3) . ?
C12 O1 1.374(3) . ?
C12 C13 1.452(3) . ?
C13 C14 1.382(4) . ?
C13 C18 1.392(4) . ?
C14 C15 1.388(4) . ?
C14 H21 0.9300 . ?
C15 C16 1.371(6) . ?
C15 H22 0.9300 . ?
C16 C17 1.378(6) . ?
C16 C19 1.560(6) . ?
C17 C18 1.377(5) . ?
C17 H18 0.9300 . ?
C18 H19 0.9300 . ?
C19 C20 1.233(6) . ?
C19 H68A 0.9700 . ?
C19 H68B 0.9700 . ?
C20 H69A 0.9600 . ?
C20 H69B 0.9600 . ?
C20 H69C 0.9600 . ?
C21 N2 1.460(3) . ?
C21 C22 1.496(4) . ?
C21 H13A 0.9700 . ?
C21 H13B 0.9700 . ?
C22 O4 1.436(4) . ?
C22 H14A 0.9700 . ?
C22 H14B 0.9700 . ?
C23 O5 1.199(3) . ?
C23 O4 1.343(3) . ?
C23 N2 1.352(3) . ?
C24 O3 1.202(3) . ?
C24 O2 1.347(3) . ?
C24 N1 1.356(3) . ?
C25 O2 1.440(3) . ?
C25 C26 1.503(4) . ?
C25 H28A 0.9700 . ?
C25 H28B 0.9700 . ?
C26 N1 1.455(3) . ?
C26 H27A 0.9700 . ?
C26 H27B 0.9700 . ?

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 H70A 109.5 . . ?
C2 C1 H70B 109.5 . . ?
H70A C1 H70B 109.5 . . ?
C2 C1 H70C 109.5 . . ?
H70A C1 H70C 109.5 . . ?
H70B C1 H70C 109.5 . . ?
C1 C2 C3 118.9(3) . . ?
C1 C2 H32A 107.6 . . ?
C3 C2 H32A 107.6 . . ?
C1 C2 H32B 107.6 . . ?
C3 C2 H32B 107.6 . . ?
H32A C2 H32B 107.0 . . ?
C4 C3 C8 117.3(2) . . ?
C4 C3 C2 120.8(2) . . ?
C8 C3 C2 121.9(3) . . ?
C5 C4 C3 122.0(2) . . ?
C5 C4 H3 119.0 . . ?
C3 C4 H3 119.0 . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H2 119.7 . . ?
C6 C5 H2 119.7 . . ?
C7 C6 C5 117.8(2) . . ?
C7 C6 C9 121.25(19) . . ?
C5 C6 C9 120.9(2) . . ?
C8 C7 C6 121.1(2) . . ?
C8 C7 H6 119.5 . . ?
C6 C7 H6 119.5 . . ?
C7 C8 C3 121.2(2) . . ?
C7 C8 H5 119.4 . . ?
C3 C8 H5 119.4 . . ?
C10 C9 O1 108.73(19) . . ?
C10 C9 C6 134.9(2) . . ?
O1 C9 C6 116.30(18) . . ?
C9 C10 N1 125.7(2) . . ?
C9 C10 C11 106.92(19) . . ?
N1 C10 C11 127.25(18) . . ?
C12 C11 N2 125.8(2) . . ?
C12 C11 C10 107.01(19) . . ?
N2 C11 C10 127.05(19) . . ?
C11 C12 O1 108.7(2) . . ?
C11 C12 C13 134.9(2) . . ?
O1 C12 C13 116.39(19) . . ?
C14 C13 C18 118.0(3) . . ?
C14 C13 C12 121.6(2) . . ?
C18 C13 C12 120.4(3) . . ?
C13 C14 C15 121.0(3) . . ?
C13 C14 H21 119.5 . . ?
C15 C14 H21 119.5 . . ?
C16 C15 C14 121.1(4) . . ?
C16 C15 H22 119.5 . . ?
C14 C15 H22 119.5 . . ?
C15 C16 C17 117.7(3) . . ?
C15 C16 C19 117.7(5) . . ?
C17 C16 C19 124.4(4) . . ?
C18 C17 C16 122.2(3) . . ?
C18 C17 H18 118.9 . . ?
C16 C17 H18 118.9 . . ?
C17 C18 C13 120.0(3) . . ?
C17 C18 H19 120.0 . . ?
C13 C18 H19 120.0 . . ?
C20 C19 C16 115.4(5) . . ?
C20 C19 H68A 108.4 . . ?
C16 C19 H68A 108.4 . . ?
C20 C19 H68B 108.4 . . ?
C16 C19 H68B 108.4 . . ?
H68A C19 H68B 107.5 . . ?
C19 C20 H69A 109.5 . . ?
C19 C20 H69B 109.5 . . ?
H69A C20 H69B 109.5 . . ?
C19 C20 H69C 109.5 . . ?
H69A C20 H69C 109.5 . . ?
H69B C20 H69C 109.5 . . ?
N2 C21 C22 101.4(2) . . ?
N2 C21 H13A 111.5 . . ?
C22 C21 H13A 111.5 . . ?
N2 C21 H13B 111.5 . . ?
C22 C21 H13B 111.5 . . ?
H13A C21 H13B 109.3 . . ?
O4 C22 C21 105.8(2) . . ?
O4 C22 H14A 110.6 . . ?
C21 C22 H14A 110.6 . . ?
O4 C22 H14B 110.6 . . ?
C21 C22 H14B 110.6 . . ?
H14A C22 H14B 108.7 . . ?
O5 C23 O4 122.2(2) . . ?
O5 C23 N2 127.9(2) . . ?
O4 C23 N2 109.9(2) . . ?
O3 C24 O2 123.4(2) . . ?
O3 C24 N1 127.6(2) . . ?
O2 C24 N1 109.0(2) . . ?
O2 C25 C26 105.20(19) . . ?
O2 C25 H28A 110.7 . . ?
C26 C25 H28A 110.7 . . ?
O2 C25 H28B 110.7 . . ?
C26 C25 H28B 110.7 . . ?
H28A C25 H28B 108.8 . . ?
N1 C26 C25 101.1(2) . . ?
N1 C26 H27A 111.5 . . ?
C25 C26 H27A 111.5 . . ?
N1 C26 H27B 111.5 . . ?
C25 C26 H27B 111.5 . . ?
H27A C26 H27B 109.4 . . ?
C24 N1 C10 122.38(18) . . ?
C24 N1 C26 111.40(19) . . ?
C10 N1 C26 122.50(18) . . ?
C23 N2 C11 122.76(18) . . ?
C23 N2 C21 110.79(19) . . ?
C11 N2 C21 123.02(18) . . ?
C9 O1 C12 108.67(16) . . ?
C24 O2 C25 110.12(18) . . ?
C23 O4 C22 109.6(2) . . ?

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
C1 C2 C3 C4 -159.3(6) . . . . ?
C1 C2 C3 C8 21.5(7) . . . . ?
C8 C3 C4 C5 -2.4(4) . . . . ?
C2 C3 C4 C5 178.4(3) . . . . ?
C3 C4 C5 C6 1.7(5) . . . . ?
C4 C5 C6 C7 0.6(4) . . . . ?
C4 C5 C6 C9 -178.8(3) . . . . ?
C5 C6 C7 C8 -2.3(4) . . . . ?
C9 C6 C7 C8 177.1(2) . . . . ?
C6 C7 C8 C3 1.6(4) . . . . ?
C4 C3 C8 C7 0.8(4) . . . . ?
C2 C3 C8 C7 179.9(3) . . . . ?
C7 C6 C9 C10 20.2(4) . . . . ?
C5 C6 C9 C10 -160.4(3) . . . . ?
C7 C6 C9 O1 -161.7(2) . . . . ?
C5 C6 C9 O1 17.6(3) . . . . ?
O1 C9 C10 N1 -176.75(19) . . . . ?
C6 C9 C10 N1 1.4(4) . . . . ?
O1 C9 C10 C11 -1.0(2) . . . . ?
C6 C9 C10 C11 177.1(2) . . . . ?
C9 C10 C11 C12 0.9(2) . . . . ?
N1 C10 C11 C12 176.5(2) . . . . ?
C9 C10 C11 N2 177.2(2) . . . . ?
N1 C10 C11 N2 -7.2(3) . . . . ?
N2 C11 C12 O1 -176.72(19) . . . . ?
C10 C11 C12 O1 -0.3(2) . . . . ?
N2 C11 C12 C13 0.0(4) . . . . ?
C10 C11 C12 C13 176.4(3) . . . . ?
C11 C12 C13 C14 28.6(5) . . . . ?
O1 C12 C13 C14 -154.9(3) . . . . ?
C11 C12 C13 C18 -151.5(3) . . . . ?
O1 C12 C13 C18 25.0(4) . . . . ?
C18 C13 C14 C15 -1.4(5) . . . . ?
C12 C13 C14 C15 178.5(3) . . . . ?
C13 C14 C15 C16 0.2(6) . . . . ?
C14 C15 C16 C17 1.2(7) . . . . ?
C14 C15 C16 C19 -175.2(4) . . . . ?
C15 C16 C17 C18 -1.4(7) . . . . ?
C19 C16 C17 C18 174.8(4) . . . . ?
C16 C17 C18 C13 0.2(6) . . . . ?
C14 C13 C18 C17 1.2(5) . . . . ?
C12 C13 C18 C17 -178.7(3) . . . . ?
C15 C16 C19 C20 -84.8(9) . . . . ?
C17 C16 C19 C20 99.1(8) . . . . ?
N2 C21 C22 O4 -15.0(3) . . . . ?
O2 C25 C26 N1 -16.8(2) . . . . ?
O3 C24 N1 C10 12.7(4) . . . . ?
O2 C24 N1 C10 -168.41(18) . . . . ?
O3 C24 N1 C26 171.4(2) . . . . ?
O2 C24 N1 C26 -9.7(3) . . . . ?
C9 C10 N1 C24 -133.4(2) . . . . ?
C11 C10 N1 C24 51.7(3) . . . . ?
C9 C10 N1 C26 70.2(3) . . . . ?
C11 C10 N1 C26 -104.6(3) . . . . ?
C25 C26 N1 C24 16.6(3) . . . . ?
C25 C26 N1 C10 175.25(19) . . . . ?
O5 C23 N2 C11 11.3(4) . . . . ?
O4 C23 N2 C11 -168.5(2) . . . . ?
O5 C23 N2 C21 170.9(3) . . . . ?
O4 C23 N2 C21 -8.8(3) . . . . ?
C12 C11 N2 C23 -134.5(3) . . . . ?
C10 C11 N2 C23 49.9(3) . . . . ?
C12 C11 N2 C21 68.4(3) . . . . ?
C10 C11 N2 C21 -107.3(3) . . . . ?
C22 C21 N2 C23 14.8(3) . . . . ?
C22 C21 N2 C11 174.3(2) . . . . ?
C10 C9 O1 C12 0.9(2) . . . . ?
C6 C9 O1 C12 -177.70(19) . . . . ?
C11 C12 O1 C9 -0.3(2) . . . . ?
C13 C12 O1 C9 -177.7(2) . . . . ?
O3 C24 O2 C25 176.7(2) . . . . ?
N1 C24 O2 C25 -2.3(2) . . . . ?
C26 C25 O2 C24 12.6(3) . . . . ?
O5 C23 O4 C22 178.5(3) . . . . ?
N2 C23 O4 C22 -1.7(3) . . . . ?
C21 C22 O4 C23 11.0(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.933
_diffrn_reflns_theta_full        77.94
_diffrn_measured_fraction_theta_full 0.933
_refine_diff_density_max         0.588
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.043


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#                         END of data
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