# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 942451'
_audit_update_record             
;
2013-11-09 deposited with the CCDC.
2014-12-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33.75 H33 N3 O'
_chemical_formula_weight         496.63

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           ?
_symmetry_space_group_name_H-M   ?

loop_
_symmetry_equiv_pos_as_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                   11.001(5)
_cell_length_b                   12.498(5)
_cell_length_c                   19.746(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 94.205(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     2707.6(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1058
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.9782
_exptl_absorpt_correction_T_max  0.9854
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18909
_diffrn_reflns_av_R_equivalents  0.0348
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.93
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4753
_reflns_number_gt                2960
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1000P)²+0.0000P] 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         4753
_refine_ls_number_parameters     356
_refine_ls_number_restraints     1171
_refine_ls_R_factor_all          0.1153
_refine_ls_R_factor_gt           0.0739
_refine_ls_wR_factor_ref         0.2542
_refine_ls_wR_factor_gt          0.2227
_refine_ls_goodness_of_fit_ref   1.540
_refine_ls_restrained_S_all      1.674
_refine_ls_shift/su_max          0.002
_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
N1 N 0.7319(3) 1.0929(2) 0.87572(13) 0.0529(8) Uani 1 1 d . . .
C24 C 0.8874(3) 1.1712(3) 0.95079(16) 0.0512(8) Uani 1 1 d U . .
C17 C 0.5691(3) 0.8297(3) 0.76889(16) 0.0507(8) Uani 1 1 d U . .
C20 C 0.6822(3) 1.0048(3) 0.83774(15) 0.0478(8) Uani 1 1 d U . .
C18 C 0.5027(3) 0.9029(3) 0.80346(16) 0.0514(8) Uani 1 1 d U . .
H18 H 0.4189 0.8936 0.8043 0.062 Uiso 1 1 calc R . .
C19 C 0.5571(3) 0.9892(3) 0.83678(16) 0.0518(8) Uani 1 1 d U . .
H19 H 0.5095 1.0377 0.8589 0.062 Uiso 1 1 calc R . .
C27 C 0.9749(3) 1.3285(3) 1.04649(18) 0.0603(9) Uani 1 1 d U . .
C14 C 0.3591(3) 0.6033(3) 0.69434(18) 0.0572(8) Uani 1 1 d U . .
O1 O 0.7104(3) 1.2806(2) 0.92841(15) 0.0866(10) Uani 1 1 d . . .
H1 H 0.6937 1.2292 0.9036 0.130 Uiso 1 1 calc R . .
C7 C 0.3970(3) 0.5026(3) 0.71943(19) 0.0590(9) Uani 1 1 d U . .
C22 C 0.6936(3) 0.8494(3) 0.76761(18) 0.0622(9) Uani 1 1 d U . .
H22 H 0.7401 0.8035 0.7429 0.075 Uiso 1 1 calc R . .
C16 C 0.5153(3) 0.7353(3) 0.73418(17) 0.0574(8) Uani 1 1 d U . .
H16 H 0.5695 0.6922 0.7126 0.069 Uiso 1 1 calc R . .
N2 N 1.0154(3) 1.4033(3) 1.09330(16) 0.0735(10) Uani 1 1 d . . .
C6 C 0.2810(3) 0.6120(3) 0.63419(18) 0.0596(9) Uani 1 1 d U . .
C1 C 0.2486(3) 0.5164(3) 0.5958(2) 0.0625(9) Uani 1 1 d U . .
C21 C 0.7502(3) 0.9337(3) 0.80129(17) 0.0594(9) Uani 1 1 d U . .
H21 H 0.8337 0.9435 0.7998 0.071 Uiso 1 1 calc R . .
C29 C 1.0008(3) 1.1613(3) 0.98784(18) 0.0606(9) Uani 1 1 d U . .
H29 H 1.0484 1.1015 0.9805 0.073 Uiso 1 1 calc R . .
C23 C 0.8383(3) 1.0864(3) 0.90700(16) 0.0534(8) Uani 1 1 d U . .
H23 H 0.8851 1.0255 0.9013 0.064 Uiso 1 1 calc R . .
C12 C 0.3632(3) 0.4082(3) 0.6803(2) 0.0643(9) Uani 1 1 d U . .
C26 C 0.8628(3) 1.3411(3) 1.00830(17) 0.0630(10) Uani 1 1 d U . .
H26 H 0.8165 1.4022 1.0143 0.076 Uiso 1 1 calc R . .
C25 C 0.8202(3) 1.2649(3) 0.96218(17) 0.0568(9) Uani 1 1 d U . .
C15 C 0.4025(3) 0.7033(3) 0.72939(18) 0.0615(9) Uani 1 1 d U . .
H15 H 0.3452 0.7456 0.7491 0.074 Uiso 1 1 calc R . .
C30 C 0.9448(4) 1.5014(3) 1.1053(2) 0.0748(11) Uani 1 1 d U . .
H30A H 0.9092 1.5278 1.0621 0.090 Uiso 1 1 calc R . .
H30B H 1.0001 1.5559 1.1244 0.090 Uiso 1 1 calc R . .
C13 C 0.2928(4) 0.4188(3) 0.6199(2) 0.0686(9) Uani 1 1 d U . .
H13 H 0.2742 0.3578 0.5943 0.082 Uiso 1 1 calc R . .
C28 C 1.0443(3) 1.2359(3) 1.03432(18) 0.0644(10) Uani 1 1 d U . .
H28 H 1.1196 1.2257 1.0580 0.077 Uiso 1 1 calc R . .
C8 C 0.4636(3) 0.4879(3) 0.7831(2) 0.0685(9) Uani 1 1 d U . .
H8 H 0.4838 0.5475 0.8097 0.082 Uiso 1 1 calc R . .
N3 N 0.4508(4) 0.4998(4) 0.9955(4) 0.126(2) Uani 1 1 d . . .
C2 C 0.1732(4) 0.5274(4) 0.5341(2) 0.0754(10) Uani 1 1 d U . .
H2 H 0.1537 0.4668 0.5082 0.090 Uiso 1 1 calc R . .
C5 C 0.2337(4) 0.7103(3) 0.60842(19) 0.0718(10) Uani 1 1 d U . .
H5 H 0.2540 0.7731 0.6318 0.086 Uiso 1 1 calc R . .
C11 C 0.4033(4) 0.3070(3) 0.7070(2) 0.0764(10) Uani 1 1 d U . .
H11 H 0.3840 0.2455 0.6820 0.092 Uiso 1 1 calc R . .
C9 C 0.4984(4) 0.3906(4) 0.8061(2) 0.0782(11) Uani 1 1 d U . .
H9 H 0.5429 0.3836 0.8477 0.094 Uiso 1 1 calc R . .
C10 C 0.4670(4) 0.2978(3) 0.7663(2) 0.0816(11) Uani 1 1 d U . .
H10 H 0.4914 0.2305 0.7821 0.098 Uiso 1 1 calc R . .
C32 C 1.1216(4) 1.3831(4) 1.1422(2) 0.0808(11) Uani 1 1 d U . .
H32A H 1.1090 1.4191 1.1846 0.097 Uiso 1 1 calc R . .
H32B H 1.1275 1.3069 1.1513 0.097 Uiso 1 1 calc R . .
C4 C 0.1595(4) 0.7155(4) 0.5505(2) 0.0838(11) Uani 1 1 d U . .
H4 H 0.1277 0.7810 0.5355 0.101 Uiso 1 1 calc R . .
C3 C 0.1305(4) 0.6211(4) 0.5128(2) 0.0837(11) Uani 1 1 d U . .
H3 H 0.0808 0.6253 0.4726 0.100 Uiso 1 1 calc R . .
C33 C 1.2360(5) 1.4202(4) 1.1172(3) 0.1147(17) Uani 1 1 d U . .
H33A H 1.2472 1.3872 1.0742 0.172 Uiso 1 1 calc R . .
H33B H 1.3025 1.4012 1.1491 0.172 Uiso 1 1 calc R . .
H33C H 1.2333 1.4965 1.1117 0.172 Uiso 1 1 calc R . .
C31 C 0.8457(4) 1.4849(3) 1.1519(2) 0.0841(13) Uani 1 1 d U . .
H31A H 0.7866 1.4358 1.1316 0.126 Uiso 1 1 calc R . .
H31B H 0.8070 1.5521 1.1599 0.126 Uiso 1 1 calc R . .
H31C H 0.8797 1.4561 1.1943 0.126 Uiso 1 1 calc R . .
C34 C 0.4484(3) 0.6743(3) 0.92699(16) 0.0548(9) Uani 1 1 d DU . .
H34A H 0.4343 0.7362 0.9542 0.082 Uiso 1 1 calc R . .
H34B H 0.3896 0.6724 0.8886 0.082 Uiso 1 1 calc R . .
H34C H 0.5290 0.6778 0.9114 0.082 Uiso 1 1 calc R . .
C35 C 0.4349(9) 0.5620(7) 0.9744(5) 0.171(3) Uani 1 1 d DU . .


_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 C23 1.286(4) . ?
N1 C20 1.420(4) . ?
C24 C29 1.404(5) . ?
C24 C25 1.412(5) . ?
C24 C23 1.447(4) . ?
C17 C18 1.382(4) . ?
C17 C22 1.393(5) . ?
C17 C16 1.468(4) . ?
C20 C19 1.388(5) . ?
C20 C21 1.395(5) . ?
C18 C19 1.378(4) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C27 N2 1.366(4) . ?
C27 C26 1.406(5) . ?
C27 C28 1.417(5) . ?
C14 C7 1.404(5) . ?
C14 C6 1.418(5) . ?
C14 C15 1.491(5) . ?
O1 C25 1.351(4) . ?
O1 H1 0.8200 . ?
C7 C8 1.419(6) . ?
C7 C12 1.444(5) . ?
C22 C21 1.371(5) . ?
C22 H22 0.9300 . ?
C16 C15 1.300(5) . ?
C16 H16 0.9300 . ?
N2 C30 1.480(5) . ?
N2 C32 1.483(5) . ?
C6 C5 1.415(5) . ?
C6 C1 1.445(5) . ?
C1 C13 1.385(5) . ?
C1 C2 1.429(6) . ?
C21 H21 0.9300 . ?
C29 C28 1.370(5) . ?
C29 H29 0.9300 . ?
C23 H23 0.9300 . ?
C12 C13 1.380(5) . ?
C12 C11 1.428(5) . ?
C26 C25 1.376(5) . ?
C26 H26 0.9300 . ?
C15 H15 0.9300 . ?
C30 C31 1.492(6) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C13 H13 0.9300 . ?
C28 H28 0.9300 . ?
C8 C9 1.344(5) . ?
C8 H8 0.9300 . ?
N3 C35 0.893(9) . ?
N3 N3 1.085(9) 3_667 ?
N3 C35 1.557(10) 3_667 ?
C2 C3 1.319(6) . ?
C2 H2 0.9300 . ?
C5 C4 1.357(5) . ?
C5 H5 0.9300 . ?
C11 C10 1.324(6) . ?
C11 H11 0.9300 . ?
C9 C10 1.429(6) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C32 C33 1.460(7) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C4 C3 1.420(6) . ?
C4 H4 0.9300 . ?
C3 H3 0.9300 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C34 C35 1.699(9) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 N3 1.557(10) 3_667 ?

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
C23 N1 C20 120.4(3) . . ?
C29 C24 C25 116.5(3) . . ?
C29 C24 C23 121.7(3) . . ?
C25 C24 C23 121.7(3) . . ?
C18 C17 C22 116.7(3) . . ?
C18 C17 C16 123.5(3) . . ?
C22 C17 C16 119.8(3) . . ?
C19 C20 C21 118.2(3) . . ?
C19 C20 N1 117.3(3) . . ?
C21 C20 N1 124.5(3) . . ?
C19 C18 C17 121.8(3) . . ?
C19 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C18 C19 C20 120.8(3) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
N2 C27 C26 121.0(4) . . ?
N2 C27 C28 121.4(3) . . ?
C26 C27 C28 117.5(3) . . ?
C7 C14 C6 120.7(3) . . ?
C7 C14 C15 120.7(3) . . ?
C6 C14 C15 118.6(3) . . ?
C25 O1 H1 109.5 . . ?
C14 C7 C8 123.3(3) . . ?
C14 C7 C12 119.0(4) . . ?
C8 C7 C12 117.6(4) . . ?
C21 C22 C17 122.6(3) . . ?
C21 C22 H22 118.7 . . ?
C17 C22 H22 118.7 . . ?
C15 C16 C17 129.2(3) . . ?
C15 C16 H16 115.4 . . ?
C17 C16 H16 115.4 . . ?
C27 N2 C30 121.8(3) . . ?
C27 N2 C32 121.7(3) . . ?
C30 N2 C32 115.8(3) . . ?
C5 C6 C14 123.5(3) . . ?
C5 C6 C1 117.3(3) . . ?
C14 C6 C1 119.2(4) . . ?
C13 C1 C2 123.0(4) . . ?
C13 C1 C6 118.7(4) . . ?
C2 C1 C6 118.3(4) . . ?
C22 C21 C20 119.9(3) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C28 C29 C24 122.8(4) . . ?
C28 C29 H29 118.6 . . ?
C24 C29 H29 118.6 . . ?
N1 C23 C24 121.8(3) . . ?
N1 C23 H23 119.1 . . ?
C24 C23 H23 119.1 . . ?
C13 C12 C11 122.9(4) . . ?
C13 C12 C7 119.3(4) . . ?
C11 C12 C7 117.8(4) . . ?
C25 C26 C27 121.4(4) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
O1 C25 C26 118.4(3) . . ?
O1 C25 C24 120.1(3) . . ?
C26 C25 C24 121.5(3) . . ?
C16 C15 C14 124.3(3) . . ?
C16 C15 H15 117.9 . . ?
C14 C15 H15 117.9 . . ?
N2 C30 C31 113.6(3) . . ?
N2 C30 H30A 108.9 . . ?
C31 C30 H30A 108.9 . . ?
N2 C30 H30B 108.9 . . ?
C31 C30 H30B 108.9 . . ?
H30A C30 H30B 107.7 . . ?
C12 C13 C1 122.9(3) . . ?
C12 C13 H13 118.6 . . ?
C1 C13 H13 118.6 . . ?
C29 C28 C27 120.3(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C9 C8 C7 122.2(4) . . ?
C9 C8 H8 118.9 . . ?
C7 C8 H8 118.9 . . ?
C35 N3 N3 103.4(12) . 3_667 ?
C35 N3 C35 137.3(8) . 3_667 ?
N3 N3 C35 33.9(5) 3_667 3_667 ?
C3 C2 C1 121.9(4) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C4 C5 C6 121.8(4) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C10 C11 C12 122.2(4) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C8 C9 C10 119.8(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 120.4(4) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C33 C32 N2 112.5(4) . . ?
C33 C32 H32A 109.1 . . ?
N2 C32 H32A 109.1 . . ?
C33 C32 H32B 109.1 . . ?
N2 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C2 C3 C4 120.6(4) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C35 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N3 C35 N3 42.7(8) . 3_667 ?
N3 C35 C34 162.5(12) . . ?
N3 C35 C34 121.3(6) 3_667 . ?

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
C23 N1 C20 C19 145.6(3) . . . . ?
C23 N1 C20 C21 -34.8(5) . . . . ?
C22 C17 C18 C19 -1.9(5) . . . . ?
C16 C17 C18 C19 178.4(3) . . . . ?
C17 C18 C19 C20 -1.1(5) . . . . ?
C21 C20 C19 C18 3.1(5) . . . . ?
N1 C20 C19 C18 -177.2(3) . . . . ?
C6 C14 C7 C8 -172.7(3) . . . . ?
C15 C14 C7 C8 8.8(6) . . . . ?
C6 C14 C7 C12 4.8(5) . . . . ?
C15 C14 C7 C12 -173.7(3) . . . . ?
C18 C17 C22 C21 3.0(5) . . . . ?
C16 C17 C22 C21 -177.3(3) . . . . ?
C18 C17 C16 C15 -0.2(6) . . . . ?
C22 C17 C16 C15 -179.9(4) . . . . ?
C26 C27 N2 C30 -1.0(6) . . . . ?
C28 C27 N2 C30 178.7(4) . . . . ?
C26 C27 N2 C32 169.2(4) . . . . ?
C28 C27 N2 C32 -11.1(6) . . . . ?
C7 C14 C6 C5 176.1(3) . . . . ?
C15 C14 C6 C5 -5.4(5) . . . . ?
C7 C14 C6 C1 -5.0(5) . . . . ?
C15 C14 C6 C1 173.5(3) . . . . ?
C5 C6 C1 C13 -179.6(3) . . . . ?
C14 C6 C1 C13 1.4(5) . . . . ?
C5 C6 C1 C2 1.1(5) . . . . ?
C14 C6 C1 C2 -177.9(3) . . . . ?
C17 C22 C21 C20 -1.1(6) . . . . ?
C19 C20 C21 C22 -2.0(5) . . . . ?
N1 C20 C21 C22 178.3(3) . . . . ?
C25 C24 C29 C28 1.9(5) . . . . ?
C23 C24 C29 C28 -173.8(3) . . . . ?
C20 N1 C23 C24 -174.6(3) . . . . ?
C29 C24 C23 N1 176.4(3) . . . . ?
C25 C24 C23 N1 0.9(5) . . . . ?
C14 C7 C12 C13 -1.2(5) . . . . ?
C8 C7 C12 C13 176.5(3) . . . . ?
C14 C7 C12 C11 179.8(3) . . . . ?
C8 C7 C12 C11 -2.5(5) . . . . ?
N2 C27 C26 C25 -178.5(3) . . . . ?
C28 C27 C26 C25 1.8(6) . . . . ?
C27 C26 C25 O1 178.4(3) . . . . ?
C27 C26 C25 C24 -0.5(6) . . . . ?
C29 C24 C25 O1 179.8(3) . . . . ?
C23 C24 C25 O1 -4.5(5) . . . . ?
C29 C24 C25 C26 -1.3(5) . . . . ?
C23 C24 C25 C26 174.4(3) . . . . ?
C17 C16 C15 C14 -177.9(3) . . . . ?
C7 C14 C15 C16 65.5(5) . . . . ?
C6 C14 C15 C16 -113.0(4) . . . . ?
C27 N2 C30 C31 82.3(5) . . . . ?
C32 N2 C30 C31 -88.5(4) . . . . ?
C11 C12 C13 C1 176.5(4) . . . . ?
C7 C12 C13 C1 -2.5(6) . . . . ?
C2 C1 C13 C12 -178.4(4) . . . . ?
C6 C1 C13 C12 2.3(6) . . . . ?
C24 C29 C28 C27 -0.6(6) . . . . ?
N2 C27 C28 C29 179.0(3) . . . . ?
C26 C27 C28 C29 -1.3(6) . . . . ?
C14 C7 C8 C9 179.8(4) . . . . ?
C12 C7 C8 C9 2.2(6) . . . . ?
C13 C1 C2 C3 178.8(4) . . . . ?
C6 C1 C2 C3 -1.9(6) . . . . ?
C14 C6 C5 C4 179.8(4) . . . . ?
C1 C6 C5 C4 0.8(6) . . . . ?
C13 C12 C11 C10 -177.4(4) . . . . ?
C7 C12 C11 C10 1.5(6) . . . . ?
C7 C8 C9 C10 -0.8(6) . . . . ?
C12 C11 C10 C9 -0.1(6) . . . . ?
C8 C9 C10 C11 -0.3(6) . . . . ?
C27 N2 C32 C33 92.4(5) . . . . ?
C30 N2 C32 C33 -96.9(5) . . . . ?
C6 C5 C4 C3 -2.0(7) . . . . ?
C1 C2 C3 C4 0.8(7) . . . . ?
C5 C4 C3 C2 1.2(7) . . . . ?
C35 N3 C35 N3 0.000(3) 3_667 . . 3_667 ?
N3 N3 C35 C34 27(5) 3_667 . . . ?
C35 N3 C35 C34 27(5) 3_667 . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.290
_refine_diff_density_min         -0.629
_refine_diff_density_rms         0.051
