# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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#######################################################################

data_cd16159
_database_code_depnum_ccdc_archive 'CCDC 1515762'
_audit_update_record             
;
2016-11-09 deposited with the CCDC.
2017-02-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H29 N O'
_chemical_formula_weight         479.59

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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   6.3044(9)
_cell_length_b                   10.7952(15)
_cell_length_c                   20.613(3)
_cell_angle_alpha                77.669(4)
_cell_angle_beta                 88.541(3)
_cell_angle_gamma                75.011(3)
_cell_volume                     1323.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1639
_cell_measurement_theta_min      5.044
_cell_measurement_theta_max      46.761

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.204
_exptl_crystal_F_000             508
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    0.071
_shelx_estimated_absorpt_T_min   0.984
_shelx_estimated_absorpt_T_max   0.991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6383
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7650
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_av_R_equivalents  0.0220
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.012
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4912
_reflns_number_gt                3369
_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 SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_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)+(0.0631P)²+0.0626P] 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         4912
_refine_ls_number_parameters     335
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0476
_refine_ls_wR_factor_ref         0.1316
_refine_ls_wR_factor_gt          0.1170
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_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
N1 N 0.0842(2) 0.27690(12) 0.20859(7) 0.0449(3) Uani 1 1 d . . . . .
O1 O 0.0854(2) 0.71282(13) 0.00807(7) 0.0783(4) Uani 1 1 d . . . . .
C1 C -0.0651(3) 0.28559(15) 0.26048(8) 0.0432(4) Uani 1 1 d . . . . .
C2 C -0.2413(3) 0.38820(17) 0.26863(10) 0.0548(5) Uani 1 1 d . . . . .
H2 H -0.2774 0.4665 0.2370 0.066 Uiso 1 1 calc R U . . .
C3 C -0.3617(3) 0.3704(2) 0.32544(10) 0.0647(5) Uani 1 1 d . . . . .
H3 H -0.4800 0.4383 0.3319 0.078 Uiso 1 1 calc R U . . .
C4 C -0.3113(3) 0.2552(2) 0.37244(10) 0.0659(5) Uani 1 1 d . . . . .
H4 H -0.3958 0.2456 0.4099 0.079 Uiso 1 1 calc R U . . .
C5 C -0.1356(3) 0.15365(18) 0.36420(9) 0.0554(5) Uani 1 1 d . . . . .
H5 H -0.1007 0.0754 0.3959 0.066 Uiso 1 1 calc R U . . .
C6 C -0.0127(3) 0.16966(15) 0.30851(8) 0.0444(4) Uani 1 1 d . . . . .
C7 C 0.1858(3) 0.07654(15) 0.28731(8) 0.0439(4) Uani 1 1 d . . . . .
H7 H 0.1362 0.0167 0.2652 0.053 Uiso 1 1 calc R U . . .
C8 C 0.2822(3) 0.17148(14) 0.23479(8) 0.0427(4) Uani 1 1 d . . . . .
H8 H 0.3798 0.2076 0.2572 0.051 Uiso 1 1 calc R U . . .
C9 C 0.4090(3) 0.10233(15) 0.18466(8) 0.0448(4) Uani 1 1 d . . . . .
C10 C 0.6309(3) 0.04386(17) 0.19650(10) 0.0592(5) Uani 1 1 d . . . . .
H10 H 0.7034 0.0593 0.2315 0.071 Uiso 1 1 calc R U . . .
C11 C 0.7461(4) -0.0372(2) 0.15688(13) 0.0776(7) Uani 1 1 d . . . . .
H11 H 0.8947 -0.0775 0.1660 0.093 Uiso 1 1 calc R U . . .
C12 C 0.6435(5) -0.0585(2) 0.10447(13) 0.0856(8) Uani 1 1 d . . . . .
H12 H 0.7209 -0.1140 0.0782 0.103 Uiso 1 1 calc R U . . .
C13 C 0.4254(5) 0.0026(2) 0.09095(11) 0.0807(7) Uani 1 1 d . . . . .
H13 H 0.3556 -0.0099 0.0546 0.097 Uiso 1 1 calc R U . . .
C14 C 0.3078(3) 0.08266(18) 0.13079(9) 0.0605(5) Uani 1 1 d . . . . .
H14 H 0.1597 0.1234 0.1211 0.073 Uiso 1 1 calc R U . . .
C15 C 0.0956(3) 0.38545(14) 0.15798(8) 0.0423(4) Uani 1 1 d . . . . .
C16 C 0.2869(3) 0.42149(15) 0.14247(8) 0.0473(4) Uani 1 1 d . . . . .
H16 H 0.4163 0.3730 0.1659 0.057 Uiso 1 1 calc R U . . .
C17 C 0.2900(3) 0.52957(16) 0.09220(9) 0.0520(5) Uani 1 1 d . . . . .
H17 H 0.4217 0.5520 0.0821 0.062 Uiso 1 1 calc R U . . .
C18 C 0.1011(3) 0.60356(16) 0.05732(9) 0.0533(5) Uani 1 1 d . . . . .
C19 C -0.0899(3) 0.56592(18) 0.07157(10) 0.0646(5) Uani 1 1 d . . . . .
H19 H -0.2190 0.6144 0.0480 0.077 Uiso 1 1 calc R U . . .
C20 C -0.0922(3) 0.45819(18) 0.11998(10) 0.0592(5) Uani 1 1 d . . . . .
H20 H -0.2224 0.4328 0.1278 0.071 Uiso 1 1 calc R U . . .
C21 C 0.2797(4) 0.7486(2) -0.01156(13) 0.0970(8) Uani 1 1 d . . . . .
H21A H 0.3419 0.7714 0.0249 0.146 Uiso 1 1 calc R U . . .
H21B H 0.2476 0.8227 -0.0484 0.146 Uiso 1 1 calc R U . . .
H21C H 0.3825 0.6763 -0.0246 0.146 Uiso 1 1 calc R U . . .
C22 C 0.3422(3) -0.00257(15) 0.34294(8) 0.0463(4) Uani 1 1 d . . . . .
H22 H 0.4119 0.0436 0.3649 0.056 Uiso 1 1 calc R U . . .
C23 C 0.3928(3) -0.13249(15) 0.36461(8) 0.0417(4) Uani 1 1 d . . . . .
C24 C 0.2990(3) -0.21338(14) 0.32825(8) 0.0426(4) Uani 1 1 d . . . . .
C25 C 0.1238(3) -0.26244(17) 0.35201(10) 0.0576(5) Uani 1 1 d . . . . .
H25 H 0.0656 -0.2482 0.3925 0.069 Uiso 1 1 calc R U . . .
C26 C 0.0341(3) -0.33222(19) 0.31654(12) 0.0699(6) Uani 1 1 d . . . . .
H26 H -0.0842 -0.3646 0.3331 0.084 Uiso 1 1 calc R U . . .
C27 C 0.1193(4) -0.35402(19) 0.25671(12) 0.0706(6) Uani 1 1 d . . . . .
H27 H 0.0582 -0.4006 0.2326 0.085 Uiso 1 1 calc R U . . .
C28 C 0.2938(4) -0.30702(18) 0.23279(10) 0.0644(5) Uani 1 1 d . . . . .
H28 H 0.3516 -0.3217 0.1923 0.077 Uiso 1 1 calc R U . . .
C29 C 0.3847(3) -0.23785(16) 0.26851(9) 0.0537(5) Uani 1 1 d . . . . .
H29 H 0.5049 -0.2074 0.2522 0.064 Uiso 1 1 calc R U . . .
C30 C 0.5416(3) -0.20105(16) 0.42334(8) 0.0451(4) Uani 1 1 d . . . . .
C31 C 0.6384(3) -0.13346(18) 0.45907(9) 0.0562(5) Uani 1 1 d . . . . .
H31 H 0.6075 -0.0425 0.4463 0.067 Uiso 1 1 calc R U . . .
C32 C 0.7787(3) -0.1975(2) 0.51275(10) 0.0682(6) Uani 1 1 d . . . . .
H32 H 0.8428 -0.1495 0.5352 0.082 Uiso 1 1 calc R U . . .
C33 C 0.8247(3) -0.3307(2) 0.53349(10) 0.0740(6) Uani 1 1 d . . . . .
H33 H 0.9188 -0.3737 0.5700 0.089 Uiso 1 1 calc R U . . .
C34 C 0.7305(3) -0.3996(2) 0.49975(11) 0.0729(6) Uani 1 1 d . . . . .
H34 H 0.7605 -0.4904 0.5136 0.087 Uiso 1 1 calc R U . . .
C35 C 0.5911(3) -0.33650(17) 0.44532(9) 0.0590(5) Uani 1 1 d . . . . .
H35 H 0.5293 -0.3856 0.4230 0.071 Uiso 1 1 calc R U . . .


_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
N1 C15 1.409(2) . ?
N1 C1 1.409(2) . ?
N1 C8 1.477(2) . ?
O1 C18 1.366(2) . ?
O1 C21 1.402(3) . ?
C1 C6 1.389(2) . ?
C1 C2 1.387(2) . ?
C2 C3 1.385(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.372(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.374(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.509(2) . ?
C7 C22 1.490(2) . ?
C7 C8 1.551(2) . ?
C7 H7 0.9800 . ?
C8 C9 1.497(2) . ?
C8 H8 0.9800 . ?
C9 C14 1.375(2) . ?
C9 C10 1.382(2) . ?
C10 C11 1.381(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.363(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.370(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.383(3) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.370(2) . ?
C15 C20 1.391(2) . ?
C16 C17 1.389(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.371(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.373(3) . ?
C19 C20 1.364(2) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 C23 1.333(2) . ?
C22 H22 0.9300 . ?
C23 C30 1.486(2) . ?
C23 C24 1.498(2) . ?
C24 C25 1.380(2) . ?
C24 C29 1.382(2) . ?
C25 C26 1.378(3) . ?
C25 H25 0.9300 . ?
C26 C27 1.375(3) . ?
C26 H26 0.9300 . ?
C27 C28 1.366(3) . ?
C27 H27 0.9300 . ?
C28 C29 1.380(2) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C35 1.389(2) . ?
C30 C31 1.389(2) . ?
C31 C32 1.375(2) . ?
C31 H31 0.9300 . ?
C32 C33 1.365(3) . ?
C32 H32 0.9300 . ?
C33 C34 1.365(3) . ?
C33 H33 0.9300 . ?
C34 C35 1.382(3) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?

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
C15 N1 C1 123.08(13) . . ?
C15 N1 C8 121.71(13) . . ?
C1 N1 C8 107.47(13) . . ?
C18 O1 C21 117.77(16) . . ?
C6 C1 C2 120.24(16) . . ?
C6 C1 N1 109.79(14) . . ?
C2 C1 N1 129.96(16) . . ?
C3 C2 C1 117.91(17) . . ?
C3 C2 H2 121.0 . . ?
C1 C2 H2 121.0 . . ?
C4 C3 C2 121.74(18) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C3 C4 C5 120.12(18) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C6 C5 C4 119.08(18) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
C5 C6 C1 120.89(16) . . ?
C5 C6 C7 130.17(16) . . ?
C1 C6 C7 108.94(14) . . ?
C22 C7 C6 114.09(14) . . ?
C22 C7 C8 114.30(14) . . ?
C6 C7 C8 101.64(12) . . ?
C22 C7 H7 108.8 . . ?
C6 C7 H7 108.8 . . ?
C8 C7 H7 108.8 . . ?
N1 C8 C9 115.61(13) . . ?
N1 C8 C7 102.23(13) . . ?
C9 C8 C7 111.25(12) . . ?
N1 C8 H8 109.2 . . ?
C9 C8 H8 109.2 . . ?
C7 C8 H8 109.2 . . ?
C14 C9 C10 118.48(17) . . ?
C14 C9 C8 122.08(16) . . ?
C10 C9 C8 119.06(16) . . ?
C9 C10 C11 120.7(2) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C12 C11 C10 120.4(2) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C11 C12 C13 119.3(2) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C12 C13 C14 120.7(2) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C9 C14 C13 120.3(2) . . ?
C9 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C20 117.46(15) . . ?
C16 C15 N1 122.94(14) . . ?
C20 C15 N1 119.56(15) . . ?
C15 C16 C17 120.89(16) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 120.73(16) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
O1 C18 C17 125.42(17) . . ?
O1 C18 C19 116.00(16) . . ?
C17 C18 C19 118.57(16) . . ?
C20 C19 C18 120.72(17) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C15 121.51(17) . . ?
C19 C20 H20 119.2 . . ?
C15 C20 H20 119.2 . . ?
O1 C21 H21A 109.5 . . ?
O1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C7 126.89(15) . . ?
C23 C22 H22 116.6 . . ?
C7 C22 H22 116.6 . . ?
C22 C23 C30 122.49(15) . . ?
C22 C23 C24 119.13(14) . . ?
C30 C23 C24 118.37(13) . . ?
C25 C24 C29 118.36(16) . . ?
C25 C24 C23 121.70(15) . . ?
C29 C24 C23 119.92(15) . . ?
C26 C25 C24 120.87(18) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C27 C26 C25 120.02(19) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 119.80(18) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 120.21(19) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C28 C29 C24 120.74(18) . . ?
C28 C29 H29 119.6 . . ?
C24 C29 H29 119.6 . . ?
C35 C30 C31 116.49(16) . . ?
C35 C30 C23 121.55(16) . . ?
C31 C30 C23 121.96(15) . . ?
C32 C31 C30 121.78(18) . . ?
C32 C31 H31 119.1 . . ?
C30 C31 H31 119.1 . . ?
C33 C32 C31 120.7(2) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C34 C33 C32 118.89(19) . . ?
C34 C33 H33 120.6 . . ?
C32 C33 H33 120.6 . . ?
C33 C34 C35 120.9(2) . . ?
C33 C34 H34 119.5 . . ?
C35 C34 H34 119.5 . . ?
C34 C35 C30 121.22(19) . . ?
C34 C35 H35 119.4 . . ?
C30 C35 H35 119.4 . . ?

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
C15 N1 C1 C6 -169.68(14) . . . . ?
C8 N1 C1 C6 -20.06(17) . . . . ?
C15 N1 C1 C2 9.6(3) . . . . ?
C8 N1 C1 C2 159.20(17) . . . . ?
C6 C1 C2 C3 -0.4(3) . . . . ?
N1 C1 C2 C3 -179.62(16) . . . . ?
C1 C2 C3 C4 -0.4(3) . . . . ?
C2 C3 C4 C5 0.6(3) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C4 C5 C6 C1 -0.8(3) . . . . ?
C4 C5 C6 C7 179.71(16) . . . . ?
C2 C1 C6 C5 1.0(2) . . . . ?
N1 C1 C6 C5 -179.64(15) . . . . ?
C2 C1 C6 C7 -179.39(15) . . . . ?
N1 C1 C6 C7 -0.04(17) . . . . ?
C5 C6 C7 C22 -38.3(2) . . . . ?
C1 C6 C7 C22 142.15(14) . . . . ?
C5 C6 C7 C8 -161.84(17) . . . . ?
C1 C6 C7 C8 18.62(16) . . . . ?
C15 N1 C8 C9 -58.21(19) . . . . ?
C1 N1 C8 C9 151.67(13) . . . . ?
C15 N1 C8 C7 -179.22(13) . . . . ?
C1 N1 C8 C7 30.66(15) . . . . ?
C22 C7 C8 N1 -152.38(13) . . . . ?
C6 C7 C8 N1 -29.00(14) . . . . ?
C22 C7 C8 C9 83.65(17) . . . . ?
C6 C7 C8 C9 -152.97(13) . . . . ?
N1 C8 C9 C14 -33.1(2) . . . . ?
C7 C8 C9 C14 82.86(18) . . . . ?
N1 C8 C9 C10 154.06(15) . . . . ?
C7 C8 C9 C10 -89.94(18) . . . . ?
C14 C9 C10 C11 -2.9(3) . . . . ?
C8 C9 C10 C11 170.19(15) . . . . ?
C9 C10 C11 C12 1.5(3) . . . . ?
C10 C11 C12 C13 0.8(3) . . . . ?
C11 C12 C13 C14 -1.6(3) . . . . ?
C10 C9 C14 C13 2.1(3) . . . . ?
C8 C9 C14 C13 -170.77(16) . . . . ?
C12 C13 C14 C9 0.2(3) . . . . ?
C1 N1 C15 C16 126.63(17) . . . . ?
C8 N1 C15 C16 -18.8(2) . . . . ?
C1 N1 C15 C20 -55.5(2) . . . . ?
C8 N1 C15 C20 159.02(15) . . . . ?
C20 C15 C16 C17 2.2(2) . . . . ?
N1 C15 C16 C17 -179.87(15) . . . . ?
C15 C16 C17 C18 0.7(3) . . . . ?
C21 O1 C18 C17 4.1(3) . . . . ?
C21 O1 C18 C19 -175.1(2) . . . . ?
C16 C17 C18 O1 178.61(16) . . . . ?
C16 C17 C18 C19 -2.2(3) . . . . ?
O1 C18 C19 C20 -179.92(18) . . . . ?
C17 C18 C19 C20 0.8(3) . . . . ?
C18 C19 C20 C15 2.2(3) . . . . ?
C16 C15 C20 C19 -3.7(3) . . . . ?
N1 C15 C20 C19 178.38(17) . . . . ?
C6 C7 C22 C23 115.42(19) . . . . ?
C8 C7 C22 C23 -128.20(18) . . . . ?
C7 C22 C23 C30 -176.22(15) . . . . ?
C7 C22 C23 C24 4.5(3) . . . . ?
C22 C23 C24 C25 -102.24(19) . . . . ?
C30 C23 C24 C25 78.4(2) . . . . ?
C22 C23 C24 C29 76.2(2) . . . . ?
C30 C23 C24 C29 -103.14(18) . . . . ?
C29 C24 C25 C26 -1.1(3) . . . . ?
C23 C24 C25 C26 177.38(16) . . . . ?
C24 C25 C26 C27 0.1(3) . . . . ?
C25 C26 C27 C28 0.4(3) . . . . ?
C26 C27 C28 C29 0.0(3) . . . . ?
C27 C28 C29 C24 -1.0(3) . . . . ?
C25 C24 C29 C28 1.5(3) . . . . ?
C23 C24 C29 C28 -176.99(15) . . . . ?
C22 C23 C30 C35 179.61(16) . . . . ?
C24 C23 C30 C35 -1.1(2) . . . . ?
C22 C23 C30 C31 -0.5(3) . . . . ?
C24 C23 C30 C31 178.86(15) . . . . ?
C35 C30 C31 C32 1.0(3) . . . . ?
C23 C30 C31 C32 -178.95(17) . . . . ?
C30 C31 C32 C33 -1.1(3) . . . . ?
C31 C32 C33 C34 0.5(3) . . . . ?
C32 C33 C34 C35 0.2(3) . . . . ?
C33 C34 C35 C30 -0.3(3) . . . . ?
C31 C30 C35 C34 -0.3(3) . . . . ?
C23 C30 C35 C34 179.64(16) . . . . ?

_refine_diff_density_max         0.178
_refine_diff_density_min         -0.166
_refine_diff_density_rms         0.032

_shelxl_version_number           2013-4



