# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_u150319mas1
_database_code_depnum_ccdc_archive 'CCDC 1437162'
_audit_update_record             
;
2015-11-16 deposited with the CCDC.
2016-01-13 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            M4_Acetone
_chemical_formula_moiety         'C26 H23 N2 O3,  B F4'
_chemical_formula_sum            'C26 H23 B F4 N2 O3'
_chemical_formula_iupac          ?
_chemical_formula_weight         498.27

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   12.5531(2)
_cell_length_b                   12.7129(2)
_cell_length_c                   15.2681(2)
_cell_angle_alpha                90
_cell_angle_beta                 111.5662(7)
_cell_angle_gamma                90
_cell_volume                     2266.00(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5929
_cell_measurement_theta_min      3.7863
_cell_measurement_theta_max      68.2444
_cell_measurement_temperature    173

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1032

_exptl_absorpt_coefficient_mu    0.996
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick 1996)'
_exptl_absorpt_correction_T_min  0.93
_exptl_absorpt_correction_T_max  0.98

_exptl_special_details           'SADABS (Sheldrick 1996)'

_diffrn_ambient_temperature      173

_diffrn_source                   'Bruker TXS fine-focus rotating anode'
_diffrn_source_type              ?

_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'

_diffrn_measurement_device_type  'Bruker APEXII Ultra CCD area detector'
_diffrn_measurement_method       'Phi and Omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            14925
_diffrn_reflns_av_R_equivalents  0.0174
_diffrn_reflns_av_unetI/netI     0.0164
_diffrn_reflns_theta_min         3.786
_diffrn_reflns_theta_max         68.356
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       16

_refine_special_details          
;
;

_reflns_number_total             4142
_reflns_number_gt                3515
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0453
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1345
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_number_reflns         4142
_refine_ls_number_parameters     328
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0753P)²+1.0172P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.309
_refine_diff_density_min         -0.361
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
B B 0.0090 0.0039 '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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
B B1 0.94033(18) 0.12812(16) 0.34951(15) 0.0331(4) Uani d . . . 1 . .
C C1 0.96906(13) 0.11993(11) 0.10833(10) 0.0219(3) Uani d . . . 1 . .
C C2 0.91897(13) -0.07882(12) 0.11958(11) 0.0246(3) Uani d . . . 1 . .
H H2A 0.98 -0.0954 0.1809 0.03 Uiso calc U . R 1 . .
H H2B 0.9376 -0.112 0.0683 0.03 Uiso calc U . R 1 . .
C C3 0.80261(14) -0.11291(12) 0.11725(12) 0.0259(4) Uani d . . . 1 . .
C C4 0.76606(16) -0.21295(13) 0.12782(14) 0.0340(4) Uani d . . . 1 . .
H H4 0.8153 -0.272 0.1365 0.041 Uiso calc U . R 1 . .
C C5 0.65448(17) -0.22446(15) 0.12532(15) 0.0394(4) Uani d . . . 1 . .
H H5 0.6276 -0.2924 0.1329 0.047 Uiso calc U . R 1 . .
C C6 0.58190(15) -0.13865(14) 0.11199(14) 0.0345(4) Uani d . . . 1 . .
H H6 0.5064 -0.1488 0.1108 0.041 Uiso calc U . R 1 . .
C C7 0.61800(14) -0.03835(14) 0.10045(12) 0.0284(4) Uani d . . . 1 . .
H H7 0.5683 0.0205 0.0908 0.034 Uiso calc U . R 1 . .
C C8 0.72947(13) -0.02670(12) 0.10354(11) 0.0237(3) Uani d . . . 1 . .
C C9 0.79332(13) 0.06615(12) 0.09741(10) 0.0226(3) Uani d . . . 1 . .
C C10 0.79151(12) 0.17289(12) 0.09308(10) 0.0225(3) Uani d . . . 1 . .
C C11 0.72401(13) 0.26577(12) 0.09131(11) 0.0244(3) Uani d . . . 1 . .
C C12 0.61180(14) 0.27698(13) 0.08632(12) 0.0287(4) Uani d . . . 1 . .
H H12 0.5643 0.2173 0.0812 0.034 Uiso calc U . R 1 . .
C C13 0.57146(16) 0.37783(14) 0.08905(15) 0.0373(4) Uani d . . . 1 . .
H H13 0.4953 0.3877 0.0863 0.045 Uiso calc U . R 1 . .
C C14 0.64098(17) 0.46459(14) 0.09576(16) 0.0420(5) Uani d . . . 1 . .
H H14 0.6111 0.533 0.097 0.05 Uiso calc U . R 1 . .
C C15 0.75357(16) 0.45394(14) 0.10074(14) 0.0363(4) Uani d . . . 1 . .
H H15 0.8007 0.5138 0.1055 0.044 Uiso calc U . R 1 . .
C C16 0.79434(14) 0.35317(13) 0.09850(11) 0.0272(4) Uani d . . . 1 . .
C C17 0.91211(13) 0.31999(12) 0.10321(12) 0.0256(4) Uani d . . . 1 . .
H H17A 0.9292 0.3478 0.0492 0.031 Uiso calc U . R 1 . .
H H17B 0.9726 0.3429 0.1627 0.031 Uiso calc U . R 1 . .
C C18 1.08926(13) 0.12018(12) 0.11930(11) 0.0233(3) Uani d . . . 1 . .
C C19 1.14884(14) 0.02523(13) 0.12984(11) 0.0258(4) Uani d . . . 1 . .
H H19 1.111 -0.0394 0.1303 0.031 Uiso calc U . R 1 . .
C C20 1.26353(14) 0.02516(13) 0.13969(11) 0.0267(4) Uani d . . . 1 . .
C C21 1.32028(14) 0.12008(13) 0.13982(12) 0.0267(4) Uani d . . . 1 . .
C C22 1.26016(14) 0.21491(13) 0.12891(11) 0.0271(4) Uani d . . . 1 . .
C C23 1.14505(13) 0.21509(13) 0.11789(11) 0.0256(3) Uani d . . . 1 . .
H H23 1.1044 0.2796 0.1094 0.031 Uiso calc U . R 1 . .
C C24 1.27382(16) -0.16144(14) 0.15390(14) 0.0362(4) Uani d . . . 1 . .
H H24A 1.2512 -0.1616 0.2089 0.054 Uiso calc U . R 1 . .
H H24B 1.3277 -0.2191 0.1595 0.054 Uiso calc U . R 1 . .
H H24C 1.2058 -0.1709 0.0966 0.054 Uiso calc U . R 1 . .
C C25 1.50990(16) 0.11448(19) 0.24360(15) 0.0533(6) Uani d . . . 1 . .
H H25A 1.4998 0.1764 0.278 0.08 Uiso calc U . R 1 . .
H H25B 1.5887 0.1126 0.2454 0.08 Uiso calc U . R 1 . .
H H25C 1.4945 0.0506 0.273 0.08 Uiso calc U . R 1 . .
C C26 1.26485(16) 0.40209(14) 0.12683(15) 0.0389(4) Uani d . . . 1 . .
H H26A 1.1971 0.4066 0.0687 0.058 Uiso calc U . R 1 . .
H H26B 1.3176 0.4596 0.1285 0.058 Uiso calc U . R 1 . .
H H26C 1.2415 0.4076 0.1813 0.058 Uiso calc U . R 1 . .
F F1 0.96484(13) 0.03901(11) 0.30939(9) 0.0630(4) Uani d . . . 1 . .
F F2 0.83236(13) 0.12186(10) 0.35078(15) 0.0779(6) Uani d . . . 1 . .
F F3 1.01933(15) 0.13910(14) 0.43961(9) 0.0831(5) Uani d . . . 1 . .
F F4 0.94792(12) 0.21579(10) 0.29787(9) 0.0580(4) Uani d . . . 1 . .
N N1 0.90253(11) 0.03562(10) 0.10546(9) 0.0215(3) Uani d . . . 1 . .
N N2 0.89969(11) 0.20391(10) 0.09867(9) 0.0219(3) Uani d . . . 1 . .
O O1 1.32753(10) -0.06319(9) 0.14926(9) 0.0348(3) Uani d . . . 1 . .
O O2 1.43263(10) 0.12009(9) 0.14864(9) 0.0335(3) Uani d . . . 1 . .
O O3 1.32109(10) 0.30319(9) 0.12981(10) 0.0361(3) Uani d . . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
B1 F2 . 1.365(2) ?
B1 F1 . 1.375(2) ?
B1 F3 . 1.376(3) ?
B1 F4 . 1.389(2) ?
C1 N1 . 1.3496(19) ?
C1 N2 . 1.351(2) ?
C1 C18 . 1.456(2) ?
C2 N1 . 1.474(2) ?
C2 C3 . 1.511(2) ?
C2 H2A . 0.99 ?
C2 H2B . 0.99 ?
C3 C4 . 1.382(2) ?
C3 C8 . 1.395(2) ?
C4 C5 . 1.395(3) ?
C4 H4 . 0.95 ?
C5 C6 . 1.388(3) ?
C5 H5 . 0.95 ?
C6 C7 . 1.386(2) ?
C6 H6 . 0.95 ?
C7 C8 . 1.391(2) ?
C7 H7 . 0.95 ?
C8 C9 . 1.449(2) ?
C9 C10 . 1.358(2) ?
C9 N1 . 1.3861(19) ?
C10 N2 . 1.3863(19) ?
C10 C11 . 1.448(2) ?
C11 C12 . 1.390(2) ?
C11 C16 . 1.398(2) ?
C12 C13 . 1.385(2) ?
C12 H12 . 0.95 ?
C13 C14 . 1.387(3) ?
C13 H13 . 0.95 ?
C14 C15 . 1.394(3) ?
C14 H14 . 0.95 ?
C15 C16 . 1.385(2) ?
C15 H15 . 0.95 ?
C16 C17 . 1.513(2) ?
C17 N2 . 1.4829(19) ?
C17 H17A . 0.99 ?
C17 H17B . 0.99 ?
C18 C19 . 1.398(2) ?
C18 C23 . 1.399(2) ?
C19 C20 . 1.391(2) ?
C19 H19 . 0.95 ?
C20 O1 . 1.3572(19) ?
C20 C21 . 1.401(2) ?
C21 O2 . 1.3666(19) ?
C21 C22 . 1.399(2) ?
C22 O3 . 1.355(2) ?
C22 C23 . 1.392(2) ?
C23 H23 . 0.95 ?
C24 O1 . 1.434(2) ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 O2 . 1.419(2) ?
C25 H25A . 0.98 ?
C25 H25B . 0.98 ?
C25 H25C . 0.98 ?
C26 O3 . 1.434(2) ?
C26 H26A . 0.98 ?
C26 H26B . 0.98 ?
C26 H26C . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
F2 B1 F1 . . 110.13(17) ?
F2 B1 F3 . . 110.26(19) ?
F1 B1 F3 . . 109.38(18) ?
F2 B1 F4 . . 109.30(17) ?
F1 B1 F4 . . 109.57(17) ?
F3 B1 F4 . . 108.16(17) ?
N1 C1 N2 . . 104.94(13) ?
N1 C1 C18 . . 127.47(13) ?
N2 C1 C18 . . 127.59(13) ?
N1 C2 C3 . . 101.39(12) ?
N1 C2 H2A . . 111.5 ?
C3 C2 H2A . . 111.5 ?
N1 C2 H2B . . 111.5 ?
C3 C2 H2B . . 111.5 ?
H2A C2 H2B . . 109.3 ?
C4 C3 C8 . . 120.81(15) ?
C4 C3 C2 . . 128.38(15) ?
C8 C3 C2 . . 110.80(13) ?
C3 C4 C5 . . 117.82(16) ?
C3 C4 H4 . . 121.1 ?
C5 C4 H4 . . 121.1 ?
C6 C5 C4 . . 121.35(16) ?
C6 C5 H5 . . 119.3 ?
C4 C5 H5 . . 119.3 ?
C7 C6 C5 . . 120.94(16) ?
C7 C6 H6 . . 119.5 ?
C5 C6 H6 . . 119.5 ?
C6 C7 C8 . . 117.75(15) ?
C6 C7 H7 . . 121.1 ?
C8 C7 H7 . . 121.1 ?
C7 C8 C3 . . 121.33(15) ?
C7 C8 C9 . . 131.16(15) ?
C3 C8 C9 . . 107.49(14) ?
C10 C9 N1 . . 106.40(13) ?
C10 C9 C8 . . 144.80(14) ?
N1 C9 C8 . . 108.58(13) ?
C9 C10 N2 . . 106.42(13) ?
C9 C10 C11 . . 144.57(14) ?
N2 C10 C11 . . 108.81(13) ?
C12 C11 C16 . . 121.39(15) ?
C12 C11 C10 . . 131.23(15) ?
C16 C11 C10 . . 107.36(14) ?
C13 C12 C11 . . 117.89(15) ?
C13 C12 H12 . . 121.1 ?
C11 C12 H12 . . 121.1 ?
C12 C13 C14 . . 120.77(16) ?
C12 C13 H13 . . 119.6 ?
C14 C13 H13 . . 119.6 ?
C13 C14 C15 . . 121.65(16) ?
C13 C14 H14 . . 119.2 ?
C15 C14 H14 . . 119.2 ?
C16 C15 C14 . . 117.71(16) ?
C16 C15 H15 . . 121.1 ?
C14 C15 H15 . . 121.1 ?
C15 C16 C11 . . 120.58(15) ?
C15 C16 C17 . . 128.32(15) ?
C11 C16 C17 . . 111.09(14) ?
N2 C17 C16 . . 101.01(12) ?
N2 C17 H17A . . 111.6 ?
C16 C17 H17A . . 111.6 ?
N2 C17 H17B . . 111.6 ?
C16 C17 H17B . . 111.6 ?
H17A C17 H17B . . 109.4 ?
C19 C18 C23 . . 119.78(15) ?
C19 C18 C1 . . 119.96(14) ?
C23 C18 C1 . . 120.25(14) ?
C20 C19 C18 . . 120.10(15) ?
C20 C19 H19 . . 119.9 ?
C18 C19 H19 . . 119.9 ?
O1 C20 C19 . . 124.07(15) ?
O1 C20 C21 . . 115.60(14) ?
C19 C20 C21 . . 120.33(14) ?
O2 C21 C22 . . 120.23(14) ?
O2 C21 C20 . . 120.41(14) ?
C22 C21 C20 . . 119.35(14) ?
O3 C22 C23 . . 123.83(15) ?
O3 C22 C21 . . 115.76(14) ?
C23 C22 C21 . . 120.41(15) ?
C22 C23 C18 . . 120.00(15) ?
C22 C23 H23 . . 120.0 ?
C18 C23 H23 . . 120.0 ?
O1 C24 H24A . . 109.5 ?
O1 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
O1 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
O2 C25 H25A . . 109.5 ?
O2 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
O2 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
O3 C26 H26A . . 109.5 ?
O3 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
O3 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
C1 N1 C9 . . 111.13(13) ?
C1 N1 C2 . . 136.67(13) ?
C9 N1 C2 . . 111.72(12) ?
C1 N2 C10 . . 111.06(13) ?
C1 N2 C17 . . 136.79(13) ?
C10 N2 C17 . . 111.70(12) ?
C20 O1 C24 . . 117.12(13) ?
C21 O2 C25 . . 113.18(14) ?
C22 O3 C26 . . 117.13(13) ?

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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 C2 C3 C4 . . . . -179.26(17) ?
N1 C2 C3 C8 . . . . -0.13(17) ?
C8 C3 C4 C5 . . . . -0.7(3) ?
C2 C3 C4 C5 . . . . 178.38(17) ?
C3 C4 C5 C6 . . . . 0.5(3) ?
C4 C5 C6 C7 . . . . 0.2(3) ?
C5 C6 C7 C8 . . . . -0.6(3) ?
C6 C7 C8 C3 . . . . 0.3(2) ?
C6 C7 C8 C9 . . . . -177.52(16) ?
C4 C3 C8 C7 . . . . 0.3(3) ?
C2 C3 C8 C7 . . . . -178.93(14) ?
C4 C3 C8 C9 . . . . 178.60(15) ?
C2 C3 C8 C9 . . . . -0.61(18) ?
C7 C8 C9 C10 . . . . 5.8(4) ?
C3 C8 C9 C10 . . . . -172.3(2) ?
C7 C8 C9 N1 . . . . 179.26(15) ?
C3 C8 C9 N1 . . . . 1.16(17) ?
N1 C9 C10 N2 . . . . -0.02(16) ?
C8 C9 C10 N2 . . . . 173.5(2) ?
N1 C9 C10 C11 . . . . -173.9(2) ?
C8 C9 C10 C11 . . . . -0.4(4) ?
C9 C10 C11 C12 . . . . -6.1(4) ?
N2 C10 C11 C12 . . . . -179.88(16) ?
C9 C10 C11 C16 . . . . 172.2(2) ?
N2 C10 C11 C16 . . . . -1.57(17) ?
C16 C11 C12 C13 . . . . -0.2(2) ?
C10 C11 C12 C13 . . . . 177.87(17) ?
C11 C12 C13 C14 . . . . 0.5(3) ?
C12 C13 C14 C15 . . . . -0.5(3) ?
C13 C14 C15 C16 . . . . 0.2(3) ?
C14 C15 C16 C11 . . . . 0.1(3) ?
C14 C15 C16 C17 . . . . -179.70(17) ?
C12 C11 C16 C15 . . . . -0.1(3) ?
C10 C11 C16 C15 . . . . -178.59(15) ?
C12 C11 C16 C17 . . . . 179.77(14) ?
C10 C11 C16 C17 . . . . 1.26(18) ?
C15 C16 C17 N2 . . . . 179.35(17) ?
C11 C16 C17 N2 . . . . -0.48(17) ?
N1 C1 C18 C19 . . . . -1.0(2) ?
N2 C1 C18 C19 . . . . 179.07(15) ?
N1 C1 C18 C23 . . . . 177.98(15) ?
N2 C1 C18 C23 . . . . -1.9(2) ?
C23 C18 C19 C20 . . . . 0.5(2) ?
C1 C18 C19 C20 . . . . 179.56(14) ?
C18 C19 C20 O1 . . . . -179.27(15) ?
C18 C19 C20 C21 . . . . 0.5(2) ?
O1 C20 C21 O2 . . . . 0.3(2) ?
C19 C20 C21 O2 . . . . -179.41(14) ?
O1 C20 C21 C22 . . . . 179.07(15) ?
C19 C20 C21 C22 . . . . -0.7(2) ?
O2 C21 C22 O3 . . . . -1.3(2) ?
C20 C21 C22 O3 . . . . 179.99(15) ?
O2 C21 C22 C23 . . . . 178.63(14) ?
C20 C21 C22 C23 . . . . -0.1(2) ?
O3 C22 C23 C18 . . . . -178.99(15) ?
C21 C22 C23 C18 . . . . 1.1(2) ?
C19 C18 C23 C22 . . . . -1.3(2) ?
C1 C18 C23 C22 . . . . 179.66(14) ?
N2 C1 N1 C9 . . . . -2.09(17) ?
C18 C1 N1 C9 . . . . 177.99(14) ?
N2 C1 N1 C2 . . . . -173.19(15) ?
C18 C1 N1 C2 . . . . 6.9(3) ?
C10 C9 N1 C1 . . . . 1.35(17) ?
C8 C9 N1 C1 . . . . -174.73(12) ?
C10 C9 N1 C2 . . . . 174.78(12) ?
C8 C9 N1 C2 . . . . -1.29(17) ?
C3 C2 N1 C1 . . . . 171.93(16) ?
C3 C2 N1 C9 . . . . 0.87(16) ?
N1 C1 N2 C10 . . . . 2.08(17) ?
C18 C1 N2 C10 . . . . -178.01(14) ?
N1 C1 N2 C17 . . . . 173.43(16) ?
C18 C1 N2 C17 . . . . -6.7(3) ?
C9 C10 N2 C1 . . . . -1.30(17) ?
C11 C10 N2 C1 . . . . 174.95(12) ?
C9 C10 N2 C17 . . . . -174.94(12) ?
C11 C10 N2 C17 . . . . 1.31(17) ?
C16 C17 N2 C1 . . . . -171.84(16) ?
C16 C17 N2 C10 . . . . -0.52(16) ?
C19 C20 O1 C24 . . . . -3.1(2) ?
C21 C20 O1 C24 . . . . 177.13(15) ?
C22 C21 O2 C25 . . . . 97.4(2) ?
C20 C21 O2 C25 . . . . -83.8(2) ?
C23 C22 O3 C26 . . . . 5.2(2) ?
C21 C22 O3 C26 . . . . -174.86(16) ?

