# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_u150224mas1
_database_code_depnum_ccdc_archive 'CCDC 1414494'
_audit_update_record             
;
2015-07-23 deposited with the CCDC.
2015-08-10 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            LadderA
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H36 N2 O2'
_chemical_formula_iupac          ?
_chemical_formula_weight         480.63
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   30.3531(10)
_cell_length_b                   5.0918(2)
_cell_length_c                   16.0639(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2482.71(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3042
_cell_measurement_theta_min      4.0072
_cell_measurement_theta_max      68.2001
_cell_measurement_temperature    173

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1032

_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick 1996)'
_exptl_absorpt_correction_T_min  0.80
_exptl_absorpt_correction_T_max  0.99

_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            9251
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_theta_min         2.912
_diffrn_reflns_theta_max         68.281
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       19

_refine_special_details          
;
;

_reflns_number_total             3546
_reflns_number_gt                2820
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0706
_refine_ls_wR_factor_gt          0.1849
_refine_ls_wR_factor_ref         0.1994
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.054
_refine_ls_number_reflns         3546
_refine_ls_number_parameters     327
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1325P)²+0.9888P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.762
_refine_diff_density_min         -0.312
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;
Flack x determined using 850 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.5(4)

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'

_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
C C1 0.10422(17) 1.0167(11) 0.5264(4) 0.0272(12) Uani d . . . 1 . .
C C2 0.15167(18) 1.0545(11) 0.5103(4) 0.0266(12) Uani d . . . 1 . .
C C3 0.1735(2) 1.2484(11) 0.5565(5) 0.0294(16) Uani d . . . 1 . .
H H3 0.1573 1.3614 0.5922 0.035 Uiso calc U . R 1 . .
C C4 0.2184(2) 1.2745(12) 0.5500(5) 0.0341(17) Uani d . . . 1 . .
H H4 0.2332 1.4071 0.5807 0.041 Uiso calc U . R 1 . .
C C5 0.2422(2) 1.1078(13) 0.4985(4) 0.0361(15) Uani d . . . 1 . .
H H5 0.2734 1.1226 0.4957 0.043 Uiso calc U . R 1 . .
C C6 0.22086(18) 0.9212(13) 0.4516(4) 0.0305(13) Uani d . . . 1 . .
H H6 0.2373 0.8098 0.4158 0.037 Uiso calc U . R 1 . .
C C7 0.17491(18) 0.8942(12) 0.4563(4) 0.0262(13) Uani d . . . 1 . .
C C8 0.15050(18) 0.7051(11) 0.4060(4) 0.0213(12) Uani d . . . 1 . .
C C9 0.16991(16) 0.5590(12) 0.3428(4) 0.0261(12) Uani d . . . 1 . .
H H9 0.2002 0.5856 0.3309 0.031 Uiso calc U . R 1 . .
C C10 0.14654(17) 0.3746(10) 0.2961(4) 0.0236(12) Uani d . . . 1 . .
C C11 0.14812(19) 0.0181(11) 0.1938(4) 0.0273(13) Uani d . . . 1 . .
C C12 0.10048(18) -0.0202(11) 0.2092(4) 0.0272(12) Uani d . . . 1 . .
C C13 0.0786(2) -0.2147(13) 0.1631(6) 0.0332(16) Uani d . . . 1 . .
H H13 0.095 -0.3292 0.1281 0.04 Uiso calc U . R 1 . .
C C14 0.0335(2) -0.2402(11) 0.1683(5) 0.0303(16) Uani d . . . 1 . .
H H14 0.0185 -0.3693 0.1363 0.036 Uiso calc U . R 1 . .
C C15 0.01001(19) -0.0741(12) 0.2213(4) 0.0333(14) Uani d . . . 1 . .
H H15 -0.0211 -0.0902 0.2249 0.04 Uiso calc U . R 1 . .
C C16 0.03138(18) 0.1137(12) 0.2688(4) 0.0306(14) Uani d . . . 1 . .
H H16 0.0148 0.2246 0.3046 0.037 Uiso calc U . R 1 . .
C C17 0.07734(18) 0.1419(11) 0.2645(4) 0.0260(13) Uani d . . . 1 . .
C C18 0.10188(17) 0.3338(11) 0.3140(4) 0.0239(12) Uani d . . . 1 . .
C C19 0.08241(15) 0.4742(12) 0.3779(4) 0.0241(12) Uani d . . . 1 . .
H H19 0.0524 0.442 0.391 0.029 Uiso calc U . R 1 . .
C C20 0.10563(17) 0.6619(11) 0.4237(4) 0.0222(11) Uani d . . . 1 . .
C C21 0.04076(18) 0.7303(11) 0.5181(4) 0.0234(13) Uani d . . . 1 . .
H H21A 0.0382 0.781 0.5774 0.028 Uiso calc U . R 1 . .
H H21B 0.0376 0.537 0.5149 0.028 Uiso calc U . R 1 . .
C C22 0.00328(18) 0.8545(12) 0.4707(4) 0.0299(13) Uani d . . . 1 . .
H H22A 0.0075 0.8236 0.4104 0.036 Uiso calc U . R 1 . .
H H22B 0.0035 1.0465 0.4803 0.036 Uiso calc U . R 1 . .
C C23 -0.04117(19) 0.7429(11) 0.4975(5) 0.0282(16) Uani d . . . 1 . .
H H23A -0.0422 0.5542 0.4827 0.034 Uiso calc U . R 1 . .
H H23B -0.0437 0.7564 0.5588 0.034 Uiso calc U . R 1 . .
C C24 -0.08007(18) 0.8801(13) 0.4583(5) 0.0337(14) Uani d . . . 1 . .
H H24A -0.0765 0.8781 0.397 0.04 Uiso calc U . R 1 . .
H H24B -0.0804 1.0657 0.4765 0.04 Uiso calc U . R 1 . .
C C25 -0.12415(19) 0.7526(12) 0.4808(5) 0.0323(17) Uani d . . . 1 . .
H H25A -0.1248 0.5714 0.4586 0.039 Uiso calc U . R 1 . .
H H25B -0.1267 0.742 0.5422 0.039 Uiso calc U . R 1 . .
C C26 -0.16293(19) 0.9038(17) 0.4467(5) 0.0488(19) Uani d . . . 1 . .
H H26A -0.1611 1.0873 0.4648 0.073 Uiso calc U . R 1 . .
H H26B -0.1904 0.8261 0.4675 0.073 Uiso calc U . R 1 . .
H H26C -0.1626 0.8962 0.3858 0.073 Uiso calc U . R 1 . .
C C27 0.21151(19) 0.3043(13) 0.2027(5) 0.0305(15) Uani d . . . 1 . .
H H27A 0.2149 0.4975 0.2057 0.037 Uiso calc U . R 1 . .
H H27B 0.214 0.253 0.1434 0.037 Uiso calc U . R 1 . .
C C28 0.24912(18) 0.1778(13) 0.2506(4) 0.0310(14) Uani d . . . 1 . .
H H28A 0.2455 0.2161 0.3107 0.037 Uiso calc U . R 1 . .
H H28B 0.2477 -0.0151 0.2433 0.037 Uiso calc U . R 1 . .
C C29 0.29379(18) 0.2745(12) 0.2224(5) 0.0272(15) Uani d . . . 1 . .
H H29A 0.2967 0.4621 0.2377 0.033 Uiso calc U . R 1 . .
H H29B 0.2953 0.2622 0.161 0.033 Uiso calc U . R 1 . .
C C30 0.33252(17) 0.1238(12) 0.2595(4) 0.0298(13) Uani d . . . 1 . .
H H30A 0.3313 0.1372 0.3209 0.036 Uiso calc U . R 1 . .
H H30B 0.3297 -0.0641 0.2445 0.036 Uiso calc U . R 1 . .
C C31 0.37689(19) 0.2239(14) 0.2297(6) 0.0381(19) Uani d . . . 1 . .
H H31A 0.3776 0.2183 0.1681 0.046 Uiso calc U . R 1 . .
H H31B 0.3803 0.4095 0.2469 0.046 Uiso calc U . R 1 . .
C C32 0.41529(18) 0.0660(16) 0.2635(5) 0.0475(18) Uani d . . . 1 . .
H H32A 0.4157 0.0785 0.3243 0.071 Uiso calc U . R 1 . .
H H32B 0.4429 0.1357 0.2409 0.071 Uiso calc U . R 1 . .
H H32C 0.412 -0.1183 0.247 0.071 Uiso calc U . R 1 . .
N N1 0.08491(16) 0.8010(11) 0.4886(4) 0.0272(13) Uani d . . . 1 . .
N N2 0.16721(15) 0.2358(9) 0.2320(4) 0.0226(12) Uani d . . . 1 . .
O O1 0.08323(13) 1.1537(8) 0.5756(3) 0.0348(10) Uani d . . . 1 . .
O O2 0.16952(14) -0.1208(8) 0.1455(3) 0.0363(11) 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
C1 O1 . 1.231(7) ?
C1 N1 . 1.385(8) ?
C1 C2 . 1.476(8) ?
C2 C7 . 1.384(8) ?
C2 C3 . 1.401(8) ?
C3 C4 . 1.372(10) ?
C3 H3 . 0.95 ?
C4 C5 . 1.388(10) ?
C4 H4 . 0.95 ?
C5 C6 . 1.375(9) ?
C5 H5 . 0.95 ?
C6 C7 . 1.403(8) ?
C6 H6 . 0.95 ?
C7 C8 . 1.459(8) ?
C8 C9 . 1.390(8) ?
C8 C20 . 1.409(8) ?
C9 C10 . 1.395(8) ?
C9 H9 . 0.95 ?
C10 N2 . 1.398(8) ?
C10 C18 . 1.401(8) ?
C11 O2 . 1.235(7) ?
C11 N2 . 1.393(8) ?
C11 C12 . 1.480(8) ?
C12 C17 . 1.402(8) ?
C12 C13 . 1.404(9) ?
C13 C14 . 1.379(10) ?
C13 H13 . 0.95 ?
C14 C15 . 1.395(10) ?
C14 H14 . 0.95 ?
C15 C16 . 1.385(8) ?
C15 H15 . 0.95 ?
C16 C17 . 1.404(8) ?
C16 H16 . 0.95 ?
C17 C18 . 1.463(8) ?
C18 C19 . 1.384(8) ?
C19 C20 . 1.397(8) ?
C19 H19 . 0.95 ?
C20 N1 . 1.408(8) ?
C21 N1 . 1.466(8) ?
C21 C22 . 1.507(8) ?
C21 H21A . 0.99 ?
C21 H21B . 0.99 ?
C22 C23 . 1.526(8) ?
C22 H22A . 0.99 ?
C22 H22B . 0.99 ?
C23 C24 . 1.510(8) ?
C23 H23A . 0.99 ?
C23 H23B . 0.99 ?
C24 C25 . 1.531(8) ?
C24 H24A . 0.99 ?
C24 H24B . 0.99 ?
C25 C26 . 1.509(9) ?
C25 H25A . 0.99 ?
C25 H25B . 0.99 ?
C26 H26A . 0.98 ?
C26 H26B . 0.98 ?
C26 H26C . 0.98 ?
C27 N2 . 1.467(7) ?
C27 C28 . 1.520(8) ?
C27 H27A . 0.99 ?
C27 H27B . 0.99 ?
C28 C29 . 1.512(8) ?
C28 H28A . 0.99 ?
C28 H28B . 0.99 ?
C29 C30 . 1.525(8) ?
C29 H29A . 0.99 ?
C29 H29B . 0.99 ?
C30 C31 . 1.517(8) ?
C30 H30A . 0.99 ?
C30 H30B . 0.99 ?
C31 C32 . 1.517(9) ?
C31 H31A . 0.99 ?
C31 H31B . 0.99 ?
C32 H32A . 0.98 ?
C32 H32B . 0.98 ?
C32 H32C . 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
O1 C1 N1 . . 120.7(5) ?
O1 C1 C2 . . 122.9(5) ?
N1 C1 C2 . . 116.1(5) ?
C7 C2 C3 . . 120.4(5) ?
C7 C2 C1 . . 122.0(5) ?
C3 C2 C1 . . 117.4(6) ?
C4 C3 C2 . . 119.8(6) ?
C4 C3 H3 . . 120.1 ?
C2 C3 H3 . . 120.1 ?
C3 C4 C5 . . 120.3(6) ?
C3 C4 H4 . . 119.9 ?
C5 C4 H4 . . 119.9 ?
C6 C5 C4 . . 120.1(6) ?
C6 C5 H5 . . 119.9 ?
C4 C5 H5 . . 119.9 ?
C5 C6 C7 . . 120.5(6) ?
C5 C6 H6 . . 119.8 ?
C7 C6 H6 . . 119.8 ?
C2 C7 C6 . . 118.8(5) ?
C2 C7 C8 . . 118.5(5) ?
C6 C7 C8 . . 122.6(5) ?
C9 C8 C20 . . 118.3(5) ?
C9 C8 C7 . . 122.9(5) ?
C20 C8 C7 . . 118.8(5) ?
C8 C9 C10 . . 122.5(5) ?
C8 C9 H9 . . 118.8 ?
C10 C9 H9 . . 118.8 ?
C9 C10 N2 . . 120.5(5) ?
C9 C10 C18 . . 118.8(5) ?
N2 C10 C18 . . 120.7(5) ?
O2 C11 N2 . . 120.9(5) ?
O2 C11 C12 . . 122.9(5) ?
N2 C11 C12 . . 116.0(5) ?
C17 C12 C13 . . 120.8(5) ?
C17 C12 C11 . . 121.2(5) ?
C13 C12 C11 . . 117.9(5) ?
C14 C13 C12 . . 120.3(7) ?
C14 C13 H13 . . 119.9 ?
C12 C13 H13 . . 119.9 ?
C13 C14 C15 . . 119.2(7) ?
C13 C14 H14 . . 120.4 ?
C15 C14 H14 . . 120.4 ?
C16 C15 C14 . . 121.0(6) ?
C16 C15 H15 . . 119.5 ?
C14 C15 H15 . . 119.5 ?
C15 C16 C17 . . 120.6(6) ?
C15 C16 H16 . . 119.7 ?
C17 C16 H16 . . 119.7 ?
C12 C17 C16 . . 118.0(5) ?
C12 C17 C18 . . 118.8(5) ?
C16 C17 C18 . . 123.2(5) ?
C19 C18 C10 . . 119.2(5) ?
C19 C18 C17 . . 122.1(5) ?
C10 C18 C17 . . 118.7(5) ?
C18 C19 C20 . . 122.0(5) ?
C18 C19 H19 . . 119.0 ?
C20 C19 H19 . . 119.0 ?
C19 C20 N1 . . 120.6(5) ?
C19 C20 C8 . . 119.2(5) ?
N1 C20 C8 . . 120.2(5) ?
N1 C21 C22 . . 115.1(5) ?
N1 C21 H21A . . 108.5 ?
C22 C21 H21A . . 108.5 ?
N1 C21 H21B . . 108.5 ?
C22 C21 H21B . . 108.5 ?
H21A C21 H21B . . 107.5 ?
C21 C22 C23 . . 111.7(5) ?
C21 C22 H22A . . 109.3 ?
C23 C22 H22A . . 109.3 ?
C21 C22 H22B . . 109.3 ?
C23 C22 H22B . . 109.3 ?
H22A C22 H22B . . 108.0 ?
C24 C23 C22 . . 113.7(6) ?
C24 C23 H23A . . 108.8 ?
C22 C23 H23A . . 108.8 ?
C24 C23 H23B . . 108.8 ?
C22 C23 H23B . . 108.8 ?
H23A C23 H23B . . 107.7 ?
C23 C24 C25 . . 112.9(6) ?
C23 C24 H24A . . 109.0 ?
C25 C24 H24A . . 109.0 ?
C23 C24 H24B . . 109.0 ?
C25 C24 H24B . . 109.0 ?
H24A C24 H24B . . 107.8 ?
C26 C25 C24 . . 112.3(6) ?
C26 C25 H25A . . 109.1 ?
C24 C25 H25A . . 109.1 ?
C26 C25 H25B . . 109.1 ?
C24 C25 H25B . . 109.1 ?
H25A C25 H25B . . 107.9 ?
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 ?
N2 C27 C28 . . 115.1(5) ?
N2 C27 H27A . . 108.5 ?
C28 C27 H27A . . 108.5 ?
N2 C27 H27B . . 108.5 ?
C28 C27 H27B . . 108.5 ?
H27A C27 H27B . . 107.5 ?
C29 C28 C27 . . 112.6(5) ?
C29 C28 H28A . . 109.1 ?
C27 C28 H28A . . 109.1 ?
C29 C28 H28B . . 109.1 ?
C27 C28 H28B . . 109.1 ?
H28A C28 H28B . . 107.8 ?
C28 C29 C30 . . 114.3(5) ?
C28 C29 H29A . . 108.7 ?
C30 C29 H29A . . 108.7 ?
C28 C29 H29B . . 108.7 ?
C30 C29 H29B . . 108.7 ?
H29A C29 H29B . . 107.6 ?
C31 C30 C29 . . 113.1(6) ?
C31 C30 H30A . . 109.0 ?
C29 C30 H30A . . 109.0 ?
C31 C30 H30B . . 109.0 ?
C29 C30 H30B . . 109.0 ?
H30A C30 H30B . . 107.8 ?
C32 C31 C30 . . 113.0(6) ?
C32 C31 H31A . . 109.0 ?
C30 C31 H31A . . 109.0 ?
C32 C31 H31B . . 109.0 ?
C30 C31 H31B . . 109.0 ?
H31A C31 H31B . . 107.8 ?
C31 C32 H32A . . 109.5 ?
C31 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
C31 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
C1 N1 C20 . . 122.3(5) ?
C1 N1 C21 . . 116.1(5) ?
C20 N1 C21 . . 121.6(5) ?
C11 N2 C10 . . 122.7(5) ?
C11 N2 C27 . . 115.4(5) ?
C10 N2 C27 . . 121.9(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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 C1 C2 C7 . . . . 178.4(6) ?
N1 C1 C2 C7 . . . . 4.1(8) ?
O1 C1 C2 C3 . . . . 2.9(9) ?
N1 C1 C2 C3 . . . . -171.4(6) ?
C7 C2 C3 C4 . . . . -1.9(10) ?
C1 C2 C3 C4 . . . . 173.7(6) ?
C2 C3 C4 C5 . . . . -0.7(11) ?
C3 C4 C5 C6 . . . . 2.2(11) ?
C4 C5 C6 C7 . . . . -1.1(10) ?
C3 C2 C7 C6 . . . . 3.0(9) ?
C1 C2 C7 C6 . . . . -172.4(5) ?
C3 C2 C7 C8 . . . . -176.6(6) ?
C1 C2 C7 C8 . . . . 8.1(8) ?
C5 C6 C7 C2 . . . . -1.4(9) ?
C5 C6 C7 C8 . . . . 178.0(6) ?
C2 C7 C8 C9 . . . . 171.7(6) ?
C6 C7 C8 C9 . . . . -7.8(9) ?
C2 C7 C8 C20 . . . . -10.3(8) ?
C6 C7 C8 C20 . . . . 170.2(5) ?
C20 C8 C9 C10 . . . . 0.7(8) ?
C7 C8 C9 C10 . . . . 178.6(5) ?
C8 C9 C10 N2 . . . . 178.7(5) ?
C8 C9 C10 C18 . . . . -0.5(8) ?
O2 C11 C12 C17 . . . . -180.0(5) ?
N2 C11 C12 C17 . . . . -5.1(8) ?
O2 C11 C12 C13 . . . . -3.5(9) ?
N2 C11 C12 C13 . . . . 171.4(6) ?
C17 C12 C13 C14 . . . . 3.4(10) ?
C11 C12 C13 C14 . . . . -173.1(7) ?
C12 C13 C14 C15 . . . . -1.3(11) ?
C13 C14 C15 C16 . . . . -0.4(11) ?
C14 C15 C16 C17 . . . . 0.2(10) ?
C13 C12 C17 C16 . . . . -3.6(9) ?
C11 C12 C17 C16 . . . . 172.8(5) ?
C13 C12 C17 C18 . . . . 177.3(6) ?
C11 C12 C17 C18 . . . . -6.3(8) ?
C15 C16 C17 C12 . . . . 1.8(9) ?
C15 C16 C17 C18 . . . . -179.1(6) ?
C9 C10 C18 C19 . . . . -0.9(8) ?
N2 C10 C18 C19 . . . . 179.9(5) ?
C9 C10 C18 C17 . . . . 179.5(5) ?
N2 C10 C18 C17 . . . . 0.4(8) ?
C12 C17 C18 C19 . . . . -170.8(6) ?
C16 C17 C18 C19 . . . . 10.1(9) ?
C12 C17 C18 C10 . . . . 8.8(8) ?
C16 C17 C18 C10 . . . . -170.3(6) ?
C10 C18 C19 C20 . . . . 2.0(8) ?
C17 C18 C19 C20 . . . . -178.4(5) ?
C18 C19 C20 N1 . . . . -179.8(5) ?
C18 C19 C20 C8 . . . . -1.7(8) ?
C9 C8 C20 C19 . . . . 0.4(8) ?
C7 C8 C20 C19 . . . . -177.7(5) ?
C9 C8 C20 N1 . . . . 178.4(5) ?
C7 C8 C20 N1 . . . . 0.4(8) ?
N1 C21 C22 C23 . . . . 172.3(5) ?
C21 C22 C23 C24 . . . . 174.1(6) ?
C22 C23 C24 C25 . . . . 175.8(6) ?
C23 C24 C25 C26 . . . . 175.5(6) ?
N2 C27 C28 C29 . . . . -174.9(6) ?
C27 C28 C29 C30 . . . . -171.3(6) ?
C28 C29 C30 C31 . . . . 179.6(6) ?
C29 C30 C31 C32 . . . . -177.4(6) ?
O1 C1 N1 C20 . . . . 171.0(6) ?
C2 C1 N1 C20 . . . . -14.7(8) ?
O1 C1 N1 C21 . . . . -7.0(9) ?
C2 C1 N1 C21 . . . . 167.4(5) ?
C19 C20 N1 C1 . . . . -169.3(6) ?
C8 C20 N1 C1 . . . . 12.7(9) ?
C19 C20 N1 C21 . . . . 8.6(9) ?
C8 C20 N1 C21 . . . . -169.5(5) ?
C22 C21 N1 C1 . . . . 91.5(7) ?
C22 C21 N1 C20 . . . . -86.5(7) ?
O2 C11 N2 C10 . . . . -170.2(5) ?
C12 C11 N2 C10 . . . . 14.9(8) ?
O2 C11 N2 C27 . . . . 7.5(8) ?
C12 C11 N2 C27 . . . . -167.5(5) ?
C9 C10 N2 C11 . . . . 168.0(5) ?
C18 C10 N2 C11 . . . . -12.8(9) ?
C9 C10 N2 C27 . . . . -9.5(8) ?
C18 C10 N2 C27 . . . . 169.7(5) ?
C28 C27 N2 C11 . . . . -91.1(7) ?
C28 C27 N2 C10 . . . . 86.6(7) ?

_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
