# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_a
_database_code_depnum_ccdc_archive 'CCDC 2179830'
loop_
_audit_author_name
_audit_author_address
han
;hunandaxue
China
;
_audit_update_record             
;
2022-06-17 deposited with the CCDC.	2023-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         C29H30NO6.5
_chemical_formula_sum            'C29 H30 N O6.50'
_chemical_formula_weight         496.54

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.9999(14)
_cell_length_b                   11.2884(18)
_cell_length_c                   14.212(2)
_cell_angle_alpha                93.793(2)
_cell_angle_beta                 102.953(2)
_cell_angle_gamma                96.345(2)
_cell_volume                     1392.3(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3772
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      25.07

_exptl_crystal_description       blcok
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             526
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9867
_exptl_absorpt_correction_T_max  0.9900
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10857
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.24
_diffrn_reflns_theta_max         25.50
_reflns_number_total             5152
_reflns_number_gt                3720
_reflns_threshold_expression     >2sigma(I)

_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-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.1598P)²+0.3369P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5152
_refine_ls_number_parameters     335
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0871
_refine_ls_R_factor_gt           0.0675
_refine_ls_wR_factor_ref         0.2494
_refine_ls_wR_factor_gt          0.2243
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.066
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2834(3) 0.4151(2) 1.04770(18) 0.0506(6) Uani 1 1 d . . .
H1 H 0.3258 0.3435 1.0509 0.061 Uiso 1 1 calc R . .
C2 C 0.2195(3) 0.4540(3) 1.11837(19) 0.0552(7) Uani 1 1 d . . .
H2 H 0.2189 0.4084 1.1705 0.066 Uiso 1 1 calc R . .
C3 C 0.1526(3) 0.5620(2) 1.11704(17) 0.0498(6) Uani 1 1 d . . .
C4 C 0.1572(3) 0.6332(2) 1.03918(17) 0.0464(6) Uani 1 1 d . . .
C5 C 0.2293(3) 0.5913(2) 0.96402(16) 0.0423(5) Uani 1 1 d . . .
C6 C 0.0798(3) 0.6002(3) 1.1896(2) 0.0637(8) Uani 1 1 d . . .
H6 H 0.0762 0.5539 1.2410 0.076 Uiso 1 1 calc R . .
C7 C 0.0150(4) 0.7030(3) 1.1861(2) 0.0694(9) Uani 1 1 d . . .
H7 H -0.0323 0.7269 1.2348 0.083 Uiso 1 1 calc R . .
C8 C 0.0195(3) 0.7729(3) 1.1092(2) 0.0664(8) Uani 1 1 d . . .
H8 H -0.0251 0.8434 1.1068 0.080 Uiso 1 1 calc R . .
C9 C 0.0888(3) 0.7388(3) 1.0374(2) 0.0565(7) Uani 1 1 d . . .
H9 H 0.0906 0.7864 0.9866 0.068 Uiso 1 1 calc R . .
C10 C 0.3433(3) 0.4567(2) 0.88818(17) 0.0436(6) Uani 1 1 d . . .
C11 C 0.3247(3) 0.5530(2) 0.83205(17) 0.0434(6) Uani 1 1 d . . .
C12 C 0.2540(3) 0.6372(2) 0.87869(17) 0.0439(6) Uani 1 1 d . . .
C13 C 0.2156(3) 0.7535(2) 0.84507(18) 0.0503(6) Uani 1 1 d . . .
C14 C 0.2978(4) 0.8598(3) 0.8934(2) 0.0648(8) Uani 1 1 d . . .
H14 H 0.3778 0.8579 0.9474 0.078 Uiso 1 1 calc R . .
C15 C 0.2613(5) 0.9691(3) 0.8618(3) 0.0868(11) Uani 1 1 d . . .
H15 H 0.3157 1.0402 0.8948 0.104 Uiso 1 1 calc R . .
C16 C 0.1448(6) 0.9715(4) 0.7816(3) 0.0955(13) Uani 1 1 d . . .
H16 H 0.1212 1.0446 0.7597 0.115 Uiso 1 1 calc R . .
C17 C 0.0623(5) 0.8668(4) 0.7330(3) 0.0907(12) Uani 1 1 d . . .
H17 H -0.0173 0.8693 0.6790 0.109 Uiso 1 1 calc R . .
C18 C 0.0974(4) 0.7585(3) 0.7643(2) 0.0669(8) Uani 1 1 d . . .
H18 H 0.0415 0.6880 0.7311 0.080 Uiso 1 1 calc R . .
C19 C 0.3728(3) 0.5630(2) 0.73754(17) 0.0461(6) Uani 1 1 d . . .
H19 H 0.4631 0.5206 0.7420 0.055 Uiso 1 1 calc R . .
C20 C 0.4207(3) 0.6895(3) 0.71522(19) 0.0542(7) Uani 1 1 d . . .
C21 C 0.5975(5) 0.8652(3) 0.7705(3) 0.0884(11) Uani 1 1 d . . .
H21A H 0.5151 0.9149 0.7639 0.106 Uiso 1 1 calc R . .
H21B H 0.6378 0.8671 0.7128 0.106 Uiso 1 1 calc R . .
C22 C 0.7216(6) 0.9098(4) 0.8586(4) 0.1228(18) Uani 1 1 d . . .
H22A H 0.6786 0.9133 0.9145 0.184 Uiso 1 1 calc R . .
H22B H 0.7675 0.9884 0.8507 0.184 Uiso 1 1 calc R . .
H22C H 0.7986 0.8565 0.8670 0.184 Uiso 1 1 calc R . .
C23 C 0.2513(3) 0.5012(3) 0.65080(18) 0.0549(7) Uani 1 1 d . . .
C24 C 0.2116(4) 0.4177(4) 0.4884(2) 0.0917(12) Uani 1 1 d . . .
H24A H 0.1541 0.3436 0.4984 0.110 Uiso 1 1 calc R . .
H24B H 0.1391 0.4725 0.4646 0.110 Uiso 1 1 calc R . .
C25 C 0.3019(5) 0.3947(5) 0.4184(3) 0.1141(17) Uani 1 1 d . . .
H25A H 0.3504 0.4692 0.4040 0.171 Uiso 1 1 calc R . .
H25B H 0.2361 0.3536 0.3600 0.171 Uiso 1 1 calc R . .
H25C H 0.3792 0.3459 0.4447 0.171 Uiso 1 1 calc R . .
C26 C 0.4006(3) 0.3431(2) 0.87137(19) 0.0494(6) Uani 1 1 d . . .
C27 C 0.4970(4) 0.2244(3) 0.7605(3) 0.0775(9) Uani 1 1 d . . .
H27A H 0.5947 0.2214 0.8055 0.093 Uiso 1 1 calc R . .
H27B H 0.4273 0.1545 0.7656 0.093 Uiso 1 1 calc R . .
C28 C 0.5183(9) 0.2241(6) 0.6639(4) 0.159(3) Uani 1 1 d . . .
H28A H 0.4199 0.2172 0.6189 0.239 Uiso 1 1 calc R . .
H28B H 0.5704 0.1575 0.6503 0.239 Uiso 1 1 calc R . .
H28C H 0.5787 0.2974 0.6574 0.239 Uiso 1 1 calc R . .
N1 N 0.2861(2) 0.48191(17) 0.96967(13) 0.0429(5) Uani 1 1 d . . .
O1 O 0.4147(3) 0.26558(18) 0.92621(16) 0.0740(6) Uani 1 1 d . . .
O2 O 0.4346(3) 0.33169(17) 0.78460(15) 0.0666(6) Uani 1 1 d . . .
O3 O 0.1163(2) 0.4845(2) 0.64728(15) 0.0819(7) Uani 1 1 d . . .
O4 O 0.3147(2) 0.4695(2) 0.57917(13) 0.0682(6) Uani 1 1 d . . .
O5 O 0.5407(2) 0.74280(17) 0.78335(15) 0.0627(5) Uani 1 1 d . . .
O6 O 0.3636(3) 0.7335(2) 0.64392(16) 0.0807(7) Uani 1 1 d . . .
O7 O 0.0000 1.0000 0.5000 0.280(7) Uani 1 2 d SD . .
C29 C 0.1338(15) 0.9254(14) 0.4832(7) 0.341(10) Uani 1 1 d D . .
H29A H 0.0899 0.8470 0.4527 0.511 Uiso 1 1 calc R . .
H29B H 0.2020 0.9183 0.5444 0.511 Uiso 1 1 calc R . .
H29C H 0.1902 0.9659 0.4422 0.511 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
C1 C2 1.338(4) . ?
C1 N1 1.385(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.417(4) . ?
C2 H2 0.9300 . ?
C3 C6 1.409(4) . ?
C3 C4 1.416(4) . ?
C4 C9 1.399(4) . ?
C4 C5 1.448(3) . ?
C5 N1 1.389(3) . ?
C5 C12 1.403(3) . ?
C6 C7 1.354(5) . ?
C6 H6 0.9300 . ?
C7 C8 1.395(5) . ?
C7 H7 0.9300 . ?
C8 C9 1.366(4) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.393(3) . ?
C10 N1 1.393(3) . ?
C10 C26 1.460(4) . ?
C11 C12 1.410(3) . ?
C11 C19 1.508(3) . ?
C12 C13 1.476(3) . ?
C13 C14 1.388(4) . ?
C13 C18 1.388(4) . ?
C14 C15 1.389(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.369(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.376(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.373(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.520(4) . ?
C19 C23 1.522(4) . ?
C19 H19 0.9800 . ?
C20 O6 1.195(3) . ?
C20 O5 1.333(3) . ?
C21 O5 1.457(4) . ?
C21 C22 1.494(6) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 O3 1.198(3) . ?
C23 O4 1.322(3) . ?
C24 C25 1.446(5) . ?
C24 O4 1.453(4) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 O1 1.208(3) . ?
C26 O2 1.337(3) . ?
C27 C28 1.428(6) . ?
C27 O2 1.443(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
O7 C29 1.595(13) . ?
O7 C29 1.595(13) 2_576 ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 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 119.6(3) . . ?
C2 C1 H1 120.2 . . ?
N1 C1 H1 120.2 . . ?
C1 C2 C3 122.6(2) . . ?
C1 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
C6 C3 C4 118.8(3) . . ?
C6 C3 C2 122.5(3) . . ?
C4 C3 C2 118.8(2) . . ?
C9 C4 C3 118.5(2) . . ?
C9 C4 C5 123.3(2) . . ?
C3 C4 C5 118.1(2) . . ?
N1 C5 C12 107.6(2) . . ?
N1 C5 C4 118.9(2) . . ?
C12 C5 C4 133.5(2) . . ?
C7 C6 C3 121.4(3) . . ?
C7 C6 H6 119.3 . . ?
C3 C6 H6 119.3 . . ?
C6 C7 C8 119.7(3) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C9 C8 C7 120.7(3) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C4 121.0(3) . . ?
C8 C9 H9 119.5 . . ?
C4 C9 H9 119.5 . . ?
C11 C10 N1 107.4(2) . . ?
C11 C10 C26 131.3(2) . . ?
N1 C10 C26 121.2(2) . . ?
C10 C11 C12 108.3(2) . . ?
C10 C11 C19 124.9(2) . . ?
C12 C11 C19 126.8(2) . . ?
C5 C12 C11 107.4(2) . . ?
C5 C12 C13 126.2(2) . . ?
C11 C12 C13 126.4(2) . . ?
C14 C13 C18 118.8(3) . . ?
C14 C13 C12 120.5(3) . . ?
C18 C13 C12 120.7(2) . . ?
C13 C14 C15 120.4(3) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C16 C15 C14 119.6(4) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C17 120.5(3) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 120.1(4) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C13 120.5(3) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C11 C19 C20 115.6(2) . . ?
C11 C19 C23 112.8(2) . . ?
C20 C19 C23 108.3(2) . . ?
C11 C19 H19 106.5 . . ?
C20 C19 H19 106.5 . . ?
C23 C19 H19 106.5 . . ?
O6 C20 O5 124.3(3) . . ?
O6 C20 C19 124.8(3) . . ?
O5 C20 C19 110.9(2) . . ?
O5 C21 C22 106.9(3) . . ?
O5 C21 H21A 110.3 . . ?
C22 C21 H21A 110.3 . . ?
O5 C21 H21B 110.3 . . ?
C22 C21 H21B 110.3 . . ?
H21A C21 H21B 108.6 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O3 C23 O4 124.5(2) . . ?
O3 C23 C19 124.8(2) . . ?
O4 C23 C19 110.8(2) . . ?
C25 C24 O4 108.7(3) . . ?
C25 C24 H24A 109.9 . . ?
O4 C24 H24A 109.9 . . ?
C25 C24 H24B 109.9 . . ?
O4 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
O1 C26 O2 122.2(2) . . ?
O1 C26 C10 126.1(2) . . ?
O2 C26 C10 111.7(2) . . ?
C28 C27 O2 109.5(3) . . ?
C28 C27 H27A 109.8 . . ?
O2 C27 H27A 109.8 . . ?
C28 C27 H27B 109.8 . . ?
O2 C27 H27B 109.8 . . ?
H27A C27 H27B 108.2 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C1 N1 C5 121.9(2) . . ?
C1 N1 C10 128.9(2) . . ?
C5 N1 C10 109.24(19) . . ?
C26 O2 C27 117.0(2) . . ?
C23 O4 C24 117.2(2) . . ?
C20 O5 C21 116.3(3) . . ?
C29 O7 C29 180.0(5) . 2_576 ?
O7 C29 H29A 109.5 . . ?
O7 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
O7 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 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
N1 C1 C2 C3 0.3(4) . . . . ?
C1 C2 C3 C6 177.3(2) . . . . ?
C1 C2 C3 C4 -1.7(4) . . . . ?
C6 C3 C4 C9 -0.1(3) . . . . ?
C2 C3 C4 C9 179.0(2) . . . . ?
C6 C3 C4 C5 -178.6(2) . . . . ?
C2 C3 C4 C5 0.5(3) . . . . ?
C9 C4 C5 N1 -176.3(2) . . . . ?
C3 C4 C5 N1 2.0(3) . . . . ?
C9 C4 C5 C12 1.6(4) . . . . ?
C3 C4 C5 C12 -180.0(2) . . . . ?
C4 C3 C6 C7 -0.1(4) . . . . ?
C2 C3 C6 C7 -179.1(3) . . . . ?
C3 C6 C7 C8 0.2(4) . . . . ?
C6 C7 C8 C9 -0.1(5) . . . . ?
C7 C8 C9 C4 -0.1(4) . . . . ?
C3 C4 C9 C8 0.2(4) . . . . ?
C5 C4 C9 C8 178.6(2) . . . . ?
N1 C10 C11 C12 -0.7(3) . . . . ?
C26 C10 C11 C12 175.8(2) . . . . ?
N1 C10 C11 C19 179.4(2) . . . . ?
C26 C10 C11 C19 -4.1(4) . . . . ?
N1 C5 C12 C11 0.8(3) . . . . ?
C4 C5 C12 C11 -177.3(2) . . . . ?
N1 C5 C12 C13 -178.1(2) . . . . ?
C4 C5 C12 C13 3.8(4) . . . . ?
C10 C11 C12 C5 -0.1(3) . . . . ?
C19 C11 C12 C5 179.8(2) . . . . ?
C10 C11 C12 C13 178.9(2) . . . . ?
C19 C11 C12 C13 -1.3(4) . . . . ?
C5 C12 C13 C14 70.0(3) . . . . ?
C11 C12 C13 C14 -108.7(3) . . . . ?
C5 C12 C13 C18 -110.3(3) . . . . ?
C11 C12 C13 C18 71.0(3) . . . . ?
C18 C13 C14 C15 0.5(4) . . . . ?
C12 C13 C14 C15 -179.9(3) . . . . ?
C13 C14 C15 C16 -0.8(5) . . . . ?
C14 C15 C16 C17 0.9(6) . . . . ?
C15 C16 C17 C18 -0.6(6) . . . . ?
C16 C17 C18 C13 0.2(5) . . . . ?
C14 C13 C18 C17 -0.2(4) . . . . ?
C12 C13 C18 C17 -179.8(3) . . . . ?
C10 C11 C19 C20 -149.4(2) . . . . ?
C12 C11 C19 C20 30.8(3) . . . . ?
C10 C11 C19 C23 85.2(3) . . . . ?
C12 C11 C19 C23 -94.6(3) . . . . ?
C11 C19 C20 O6 -123.1(3) . . . . ?
C23 C19 C20 O6 4.5(4) . . . . ?
C11 C19 C20 O5 60.3(3) . . . . ?
C23 C19 C20 O5 -172.1(2) . . . . ?
C11 C19 C23 O3 25.8(4) . . . . ?
C20 C19 C23 O3 -103.4(3) . . . . ?
C11 C19 C23 O4 -155.0(2) . . . . ?
C20 C19 C23 O4 75.8(3) . . . . ?
C11 C10 C26 O1 178.6(3) . . . . ?
N1 C10 C26 O1 -5.3(4) . . . . ?
C11 C10 C26 O2 -2.8(4) . . . . ?
N1 C10 C26 O2 173.3(2) . . . . ?
C2 C1 N1 C5 2.5(3) . . . . ?
C2 C1 N1 C10 -178.4(2) . . . . ?
C12 C5 N1 C1 177.9(2) . . . . ?
C4 C5 N1 C1 -3.6(3) . . . . ?
C12 C5 N1 C10 -1.3(2) . . . . ?
C4 C5 N1 C10 177.14(19) . . . . ?
C11 C10 N1 C1 -177.9(2) . . . . ?
C26 C10 N1 C1 5.2(4) . . . . ?
C11 C10 N1 C5 1.3(2) . . . . ?
C26 C10 N1 C5 -175.7(2) . . . . ?
O1 C26 O2 C27 -3.1(4) . . . . ?
C10 C26 O2 C27 178.2(2) . . . . ?
C28 C27 O2 C26 176.8(4) . . . . ?
O3 C23 O4 C24 3.9(5) . . . . ?
C19 C23 O4 C24 -175.3(3) . . . . ?
C25 C24 O4 C23 177.3(4) . . . . ?
O6 C20 O5 C21 3.7(4) . . . . ?
C19 C20 O5 C21 -179.7(2) . . . . ?
C22 C21 O5 C20 175.3(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.286
_refine_diff_density_rms         0.064
