# Electronic Supplementary Material (ESI) for ChemComm.
# 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_mo30521a
_database_code_depnum_ccdc_archive 'CCDC 1417657'
_audit_update_record             
;
2015-08-10 deposited with the CCDC.
2015-09-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C76 H92 N2 O12'
_chemical_formula_weight         1225.51

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/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.966(3)
_cell_length_b                   12.944(4)
_cell_length_c                   21.641(6)
_cell_angle_alpha                90
_cell_angle_beta                 90.390(5)
_cell_angle_gamma                90
_cell_volume                     3351.9(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    2531
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      26.34

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_F_000             1316
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.081
_shelx_estimated_absorpt_T_min   0.979
_shelx_estimated_absorpt_T_max   0.990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.616
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12619
_diffrn_reflns_av_unetI/netI     0.0739
_diffrn_reflns_av_R_equivalents  0.0501
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.833
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.959
_reflns_number_total             5823
_reflns_number_gt                3702
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_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)+(0.1211P)²+1.0769P] 
 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         5823
_refine_ls_number_parameters     412
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.0632
_refine_ls_wR_factor_ref         0.2138
_refine_ls_wR_factor_gt          0.1735
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_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
O1 O 0.79613(17) 0.28369(18) -0.09233(10) 0.0376(6) Uani 1 1 d . . . . .
O2 O 0.35922(18) 0.33794(19) -0.16971(9) 0.0394(6) Uani 1 1 d . . . . .
O3 O 0.85168(17) 0.39815(17) 0.05870(9) 0.0343(6) Uani 1 1 d . . . . .
O4 O 0.44326(17) 0.23980(16) 0.13069(9) 0.0313(5) Uani 1 1 d . . . . .
O5 O 0.77224(17) 0.07506(16) 0.19060(10) 0.0328(5) Uani 1 1 d . . . . .
O6 O 0.35208(18) -0.05662(16) 0.26059(10) 0.0350(6) Uani 1 1 d . . . . .
C1 C 0.4906(3) 0.2093(2) -0.24173(12) 0.0261(7) Uani 1 1 d . . . . .
H1A H 0.5467 0.2161 -0.2749 0.031 Uiso 1 1 calc R U . . .
H1B H 0.4220 0.2455 -0.2556 0.031 Uiso 1 1 calc R U . . .
C2 C 0.5347(2) 0.2620(2) -0.18441(12) 0.0235(6) Uani 1 1 d . . . . .
C3 C 0.6446(2) 0.2474(2) -0.16527(13) 0.0271(7) Uani 1 1 d . . . . .
H3 H 0.6912 0.2023 -0.1883 0.033 Uiso 1 1 calc R U . . .
C4 C 0.6882(2) 0.2966(2) -0.11363(13) 0.0256(7) Uani 1 1 d . . . . .
C5 C 0.6235(2) 0.3655(2) -0.08008(12) 0.0234(6) Uani 1 1 d . . . . .
C6 C 0.5134(2) 0.3797(2) -0.09918(12) 0.0253(7) Uani 1 1 d . . . . .
H6 H 0.4677 0.4268 -0.0771 0.030 Uiso 1 1 calc R U . . .
C7 C 0.4683(2) 0.3275(2) -0.14926(13) 0.0250(7) Uani 1 1 d . . . . .
C8 C 0.6719(2) 0.4226(2) -0.02561(12) 0.0260(7) Uani 1 1 d . . . . .
H8A H 0.6340 0.4902 -0.0221 0.031 Uiso 1 1 calc R U . . .
H8B H 0.7521 0.4360 -0.0334 0.031 Uiso 1 1 calc R U . . .
C9 C 0.6613(2) 0.3653(2) 0.03607(12) 0.0223(6) Uani 1 1 d . . . . .
C10 C 0.7509(2) 0.3566(2) 0.07681(13) 0.0251(7) Uani 1 1 d . . . . .
C11 C 0.7358(2) 0.3106(2) 0.13427(13) 0.0256(7) Uani 1 1 d . . . . .
H11 H 0.7975 0.3059 0.1620 0.031 Uiso 1 1 calc R U . . .
C12 C 0.6327(2) 0.2715(2) 0.15218(12) 0.0244(7) Uani 1 1 d . . . . .
C13 C 0.5433(2) 0.2786(2) 0.11079(13) 0.0238(6) Uani 1 1 d . . . . .
C14 C 0.5583(2) 0.3244(2) 0.05323(12) 0.0241(6) Uani 1 1 d . . . . .
H14 H 0.4972 0.3279 0.0251 0.029 Uiso 1 1 calc R U . . .
C15 C 0.6176(3) 0.2281(2) 0.21670(13) 0.0282(7) Uani 1 1 d . . . . .
H15A H 0.6874 0.2400 0.2404 0.034 Uiso 1 1 calc R U . . .
H15B H 0.5575 0.2676 0.2373 0.034 Uiso 1 1 calc R U . . .
C16 C 0.5891(3) 0.1147(2) 0.22040(12) 0.0264(7) Uani 1 1 d . . . . .
C17 C 0.6691(2) 0.0390(2) 0.20870(12) 0.0252(7) Uani 1 1 d . . . . .
C18 C 0.6423(2) -0.0648(2) 0.21546(12) 0.0241(7) Uani 1 1 d . . . . .
H18 H 0.6979 -0.1155 0.2079 0.029 Uiso 1 1 calc R U . . .
C19 C 0.5362(2) -0.0962(2) 0.23305(12) 0.0253(7) Uani 1 1 d . . . . .
C20 C 0.4557(2) -0.0208(2) 0.24385(12) 0.0257(7) Uani 1 1 d . . . . .
C21 C 0.4826(2) 0.0831(2) 0.23786(12) 0.0264(7) Uani 1 1 d . . . . .
H21 H 0.4271 0.1337 0.2458 0.032 Uiso 1 1 calc R U . . .
C22 C 0.8677(3) 0.2169(3) -0.12604(19) 0.0501(10) Uani 1 1 d . . . . .
H22A H 0.8701 0.2376 -0.1700 0.060 Uiso 1 1 calc R U . . .
H22B H 0.8409 0.1446 -0.1235 0.060 Uiso 1 1 calc R U . . .
C23 C 0.9807(3) 0.2266(4) -0.0970(3) 0.096(2) Uani 1 1 d . . . . .
H23A H 1.0029 0.2995 -0.0962 0.144 Uiso 1 1 calc R U . . .
H23B H 1.0350 0.1869 -0.1210 0.144 Uiso 1 1 calc R U . . .
H23C H 0.9785 0.1999 -0.0547 0.144 Uiso 1 1 calc R U . . .
C24 C 0.2812(3) 0.3891(3) -0.13091(18) 0.0576(12) Uani 1 1 d . . . . .
H24A H 0.2120 0.4028 -0.1548 0.069 Uiso 1 1 calc R U . . .
H24B H 0.3128 0.4565 -0.1181 0.069 Uiso 1 1 calc R U . . .
C25 C 0.2527(4) 0.3290(6) -0.0752(2) 0.096(2) Uani 1 1 d . . . . .
H25A H 0.2261 0.2603 -0.0874 0.145 Uiso 1 1 calc R U . . .
H25B H 0.1940 0.3649 -0.0523 0.145 Uiso 1 1 calc R U . . .
H25C H 0.3193 0.3219 -0.0488 0.145 Uiso 1 1 calc R U . . .
C26 C 0.9456(3) 0.3850(3) 0.09963(15) 0.0425(9) Uani 1 1 d . . . . .
H26A H 0.9576 0.3106 0.1080 0.051 Uiso 1 1 calc R U . . .
H26B H 0.9310 0.4201 0.1394 0.051 Uiso 1 1 calc R U . . .
C27 C 1.0465(3) 0.4297(4) 0.07036(17) 0.0563(11) Uani 1 1 d . . . . .
H27A H 1.0623 0.3925 0.0320 0.084 Uiso 1 1 calc R U . . .
H27B H 1.1104 0.4232 0.0987 0.084 Uiso 1 1 calc R U . . .
H27C H 1.0333 0.5028 0.0611 0.084 Uiso 1 1 calc R U . . .
C28 C 0.3527(3) 0.2354(3) 0.08762(14) 0.0366(8) Uani 1 1 d . . . . .
H28A H 0.3744 0.1952 0.0507 0.044 Uiso 1 1 calc R U . . .
H28B H 0.3314 0.3059 0.0743 0.044 Uiso 1 1 calc R U . . .
C29 C 0.2563(3) 0.1839(4) 0.11987(17) 0.0569(11) Uani 1 1 d . . . . .
H29A H 0.2779 0.1137 0.1320 0.085 Uiso 1 1 calc R U . . .
H29B H 0.1918 0.1808 0.0918 0.085 Uiso 1 1 calc R U . . .
H29C H 0.2367 0.2237 0.1567 0.085 Uiso 1 1 calc R U . . .
C30 C 0.8594(3) 0.0004(3) 0.18330(17) 0.0412(8) Uani 1 1 d . . . . .
H30A H 0.8365 -0.0526 0.1527 0.049 Uiso 1 1 calc R U . . .
H30B H 0.8748 -0.0345 0.2232 0.049 Uiso 1 1 calc R U . . .
C31 C 0.9619(3) 0.0557(3) 0.1615(2) 0.0514(10) Uani 1 1 d . . . . .
H31A H 0.9428 0.0989 0.1258 0.077 Uiso 1 1 calc R U . . .
H31B H 1.0187 0.0050 0.1496 0.077 Uiso 1 1 calc R U . . .
H31C H 0.9913 0.0993 0.1949 0.077 Uiso 1 1 calc R U . . .
C32 C 0.2687(3) 0.0160(2) 0.27749(15) 0.0361(8) Uani 1 1 d . . . . .
H32A H 0.2551 0.0652 0.2432 0.043 Uiso 1 1 calc R U . . .
H32B H 0.2931 0.0555 0.3144 0.043 Uiso 1 1 calc R U . . .
C33 C 0.1650(3) -0.0431(3) 0.29121(18) 0.0481(10) Uani 1 1 d . . . . .
H33A H 0.1401 -0.0798 0.2540 0.072 Uiso 1 1 calc R U . . .
H33B H 0.1063 0.0047 0.3045 0.072 Uiso 1 1 calc R U . . .
H33C H 0.1802 -0.0931 0.3242 0.072 Uiso 1 1 calc R U . . .
C34 C 0.5579(4) 0.0610(3) -0.04497(18) 0.0655(13) Uani 1 1 d . . . . .
H34 H 0.5948 0.1003 -0.0758 0.079 Uiso 1 1 calc R U . . .
C35 C 0.6049(4) 0.0452(3) 0.01210(19) 0.0574(11) Uani 1 1 d . . . . .
C36 C 0.5498(4) -0.0153(4) 0.05597(19) 0.0764(14) Uani 1 1 d . . . . .
H36 H 0.5853 -0.0266 0.0948 0.092 Uiso 1 1 calc R U . . .
C37 C 0.7169(4) 0.0879(3) 0.0252(2) 0.0643(12) Uani 1 1 d . . . . .
H37A H 0.7295 0.1499 -0.0006 0.077 Uiso 1 1 calc R U . . .
H37B H 0.7220 0.1087 0.0692 0.077 Uiso 1 1 calc R U . . .
C38 C 0.8686(5) -0.0508(5) 0.0021(3) 0.1000(19) Uani 1 1 d . . . . .
N1 N 0.8015(4) 0.0117(4) 0.01219(19) 0.0842(13) 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
O1 C4 1.379(4) . ?
O1 C22 1.422(4) . ?
O2 C7 1.382(4) . ?
O2 C24 1.423(4) . ?
O3 C10 1.379(3) . ?
O3 C26 1.436(4) . ?
O4 C13 1.370(3) . ?
O4 C28 1.426(4) . ?
O5 C17 1.379(3) . ?
O5 C30 1.432(4) . ?
O6 C20 1.374(3) . ?
O6 C32 1.420(4) . ?
C1 C2 1.508(4) . ?
C1 C19 1.511(4) 3_655 ?
C2 C3 1.388(4) . ?
C2 C7 1.392(4) . ?
C3 C4 1.385(4) . ?
C4 C5 1.389(4) . ?
C5 C6 1.390(4) . ?
C5 C8 1.504(4) . ?
C6 C7 1.384(4) . ?
C8 C9 1.533(4) . ?
C9 C10 1.388(4) . ?
C9 C14 1.394(4) . ?
C10 C11 1.392(4) . ?
C11 C12 1.391(4) . ?
C12 C13 1.394(4) . ?
C12 C15 1.517(4) . ?
C13 C14 1.392(4) . ?
C15 C16 1.509(4) . ?
C16 C21 1.393(4) . ?
C16 C17 1.394(4) . ?
C17 C18 1.389(4) . ?
C18 C19 1.389(4) . ?
C19 C20 1.392(4) . ?
C19 C1 1.511(4) 3_655 ?
C20 C21 1.389(4) . ?
C22 C23 1.493(5) . ?
C24 C25 1.477(7) . ?
C26 C27 1.484(4) . ?
C28 C29 1.507(4) . ?
C30 C31 1.499(5) . ?
C32 C33 1.490(4) . ?
C34 C35 1.369(6) . ?
C34 C36 1.437(6) 3_655 ?
C35 C36 1.399(6) . ?
C35 C37 1.476(6) . ?
C36 C34 1.437(6) 3_655 ?
C37 N1 1.442(6) . ?
C38 N1 1.161(6) . ?

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
C4 O1 C22 117.9(2) . . ?
C7 O2 C24 118.6(2) . . ?
C10 O3 C26 117.4(2) . . ?
C13 O4 C28 118.1(2) . . ?
C17 O5 C30 117.2(2) . . ?
C20 O6 C32 118.7(2) . . ?
C2 C1 C19 114.2(2) . 3_655 ?
C3 C2 C7 117.6(3) . . ?
C3 C2 C1 120.6(3) . . ?
C7 C2 C1 121.8(3) . . ?
C4 C3 C2 121.9(3) . . ?
O1 C4 C3 124.1(3) . . ?
O1 C4 C5 115.3(3) . . ?
C3 C4 C5 120.6(3) . . ?
C4 C5 C6 117.4(3) . . ?
C4 C5 C8 120.8(3) . . ?
C6 C5 C8 121.8(3) . . ?
C7 C6 C5 122.2(3) . . ?
O2 C7 C6 124.5(3) . . ?
O2 C7 C2 115.3(2) . . ?
C6 C7 C2 120.2(3) . . ?
C5 C8 C9 114.3(2) . . ?
C10 C9 C14 118.7(3) . . ?
C10 C9 C8 121.6(2) . . ?
C14 C9 C8 119.6(2) . . ?
O3 C10 C9 117.5(2) . . ?
O3 C10 C11 122.7(3) . . ?
C9 C10 C11 119.8(3) . . ?
C12 C11 C10 121.7(3) . . ?
C11 C12 C13 118.4(3) . . ?
C11 C12 C15 120.2(3) . . ?
C13 C12 C15 121.3(3) . . ?
O4 C13 C14 123.8(3) . . ?
O4 C13 C12 116.2(2) . . ?
C14 C13 C12 120.0(3) . . ?
C13 C14 C9 121.3(3) . . ?
C16 C15 C12 115.9(2) . . ?
C21 C16 C17 118.3(3) . . ?
C21 C16 C15 120.5(3) . . ?
C17 C16 C15 121.2(3) . . ?
O5 C17 C18 124.4(3) . . ?
O5 C17 C16 115.5(3) . . ?
C18 C17 C16 120.1(3) . . ?
C19 C18 C17 121.6(3) . . ?
C18 C19 C20 118.4(3) . . ?
C18 C19 C1 120.8(3) . 3_655 ?
C20 C19 C1 120.8(3) . 3_655 ?
O6 C20 C21 124.1(3) . . ?
O6 C20 C19 115.7(3) . . ?
C21 C20 C19 120.1(3) . . ?
C20 C21 C16 121.5(3) . . ?
O1 C22 C23 106.2(3) . . ?
O2 C24 C25 113.1(4) . . ?
O3 C26 C27 109.0(3) . . ?
O4 C28 C29 107.2(3) . . ?
O5 C30 C31 108.1(3) . . ?
O6 C32 C33 107.4(3) . . ?
C35 C34 C36 116.8(4) . 3_655 ?
C34 C35 C36 120.2(4) . . ?
C34 C35 C37 119.0(4) . . ?
C36 C35 C37 120.7(4) . . ?
C35 C36 C34 123.0(4) . 3_655 ?
N1 C37 C35 110.1(4) . . ?
C38 N1 C37 179.0(6) . . ?

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
C19 C1 C2 C3 77.0(3) 3_655 . . . ?
C19 C1 C2 C7 -103.7(3) 3_655 . . . ?
C7 C2 C3 C4 -0.8(4) . . . . ?
C1 C2 C3 C4 178.5(3) . . . . ?
C22 O1 C4 C3 1.0(4) . . . . ?
C22 O1 C4 C5 -177.8(3) . . . . ?
C2 C3 C4 O1 179.2(3) . . . . ?
C2 C3 C4 C5 -2.1(4) . . . . ?
O1 C4 C5 C6 -178.9(2) . . . . ?
C3 C4 C5 C6 2.2(4) . . . . ?
O1 C4 C5 C8 1.5(4) . . . . ?
C3 C4 C5 C8 -177.3(3) . . . . ?
C4 C5 C6 C7 0.4(4) . . . . ?
C8 C5 C6 C7 -180.0(3) . . . . ?
C24 O2 C7 C6 -12.9(5) . . . . ?
C24 O2 C7 C2 169.6(3) . . . . ?
C5 C6 C7 O2 179.3(3) . . . . ?
C5 C6 C7 C2 -3.4(4) . . . . ?
C3 C2 C7 O2 -178.9(2) . . . . ?
C1 C2 C7 O2 1.7(4) . . . . ?
C3 C2 C7 C6 3.5(4) . . . . ?
C1 C2 C7 C6 -175.9(3) . . . . ?
C4 C5 C8 C9 -88.8(3) . . . . ?
C6 C5 C8 C9 91.6(3) . . . . ?
C5 C8 C9 C10 133.5(3) . . . . ?
C5 C8 C9 C14 -49.2(4) . . . . ?
C26 O3 C10 C9 -177.2(3) . . . . ?
C26 O3 C10 C11 5.1(4) . . . . ?
C14 C9 C10 O3 -179.8(2) . . . . ?
C8 C9 C10 O3 -2.5(4) . . . . ?
C14 C9 C10 C11 -1.9(4) . . . . ?
C8 C9 C10 C11 175.3(3) . . . . ?
O3 C10 C11 C12 178.4(3) . . . . ?
C9 C10 C11 C12 0.7(4) . . . . ?
C10 C11 C12 C13 0.4(4) . . . . ?
C10 C11 C12 C15 -176.1(3) . . . . ?
C28 O4 C13 C14 7.4(4) . . . . ?
C28 O4 C13 C12 -173.4(3) . . . . ?
C11 C12 C13 O4 -179.5(2) . . . . ?
C15 C12 C13 O4 -3.1(4) . . . . ?
C11 C12 C13 C14 -0.2(4) . . . . ?
C15 C12 C13 C14 176.2(3) . . . . ?
O4 C13 C14 C9 178.2(3) . . . . ?
C12 C13 C14 C9 -1.1(4) . . . . ?
C10 C9 C14 C13 2.1(4) . . . . ?
C8 C9 C14 C13 -175.2(3) . . . . ?
C11 C12 C15 C16 -116.8(3) . . . . ?
C13 C12 C15 C16 66.9(4) . . . . ?
C12 C15 C16 C21 -109.0(3) . . . . ?
C12 C15 C16 C17 73.4(4) . . . . ?
C30 O5 C17 C18 -5.3(4) . . . . ?
C30 O5 C17 C16 174.8(3) . . . . ?
C21 C16 C17 O5 178.9(2) . . . . ?
C15 C16 C17 O5 -3.3(4) . . . . ?
C21 C16 C17 C18 -1.0(4) . . . . ?
C15 C16 C17 C18 176.7(3) . . . . ?
O5 C17 C18 C19 -179.1(2) . . . . ?
C16 C17 C18 C19 0.8(4) . . . . ?
C17 C18 C19 C20 0.1(4) . . . . ?
C17 C18 C19 C1 -178.4(3) . . . 3_655 ?
C32 O6 C20 C21 -5.0(4) . . . . ?
C32 O6 C20 C19 174.6(3) . . . . ?
C18 C19 C20 O6 179.5(2) . . . . ?
C1 C19 C20 O6 -2.0(4) 3_655 . . . ?
C18 C19 C20 C21 -0.9(4) . . . . ?
C1 C19 C20 C21 177.7(3) 3_655 . . . ?
O6 C20 C21 C16 -179.7(3) . . . . ?
C19 C20 C21 C16 0.7(4) . . . . ?
C17 C16 C21 C20 0.2(4) . . . . ?
C15 C16 C21 C20 -177.5(3) . . . . ?
C4 O1 C22 C23 174.0(4) . . . . ?
C7 O2 C24 C25 -69.8(4) . . . . ?
C10 O3 C26 C27 176.9(3) . . . . ?
C13 O4 C28 C29 176.5(3) . . . . ?
C17 O5 C30 C31 178.1(3) . . . . ?
C20 O6 C32 C33 178.1(3) . . . . ?
C36 C34 C35 C36 1.7(7) 3_655 . . . ?
C36 C34 C35 C37 178.2(4) 3_655 . . . ?
C34 C35 C36 C34 -1.8(8) . . . 3_655 ?
C37 C35 C36 C34 -178.2(4) . . . 3_655 ?
C34 C35 C37 N1 -93.0(5) . . . . ?
C36 C35 C37 N1 83.5(5) . . . . ?

_refine_diff_density_max         0.465
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.064

_shelxl_version_number           2013-2



