# Electronic Supplementary Material (ESI) for RSC Advances.
# 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. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1553506'
_audit_update_record             
;
2017-06-01 deposited with the CCDC.
2017-08-28 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 H23 N'
_chemical_formula_weight         433.52

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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                   10.6406(19)
_cell_length_b                   14.908(3)
_cell_length_c                   15.474(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.207(2)
_cell_angle_gamma                90.00
_cell_volume                     2448.0(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3080
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      22.08

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLORLESS
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.9826
_exptl_absorpt_correction_T_max  0.9893
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18255
_diffrn_reflns_av_R_equivalents  0.0543
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.90
_diffrn_reflns_theta_max         26.00
_reflns_number_total             4812
_reflns_number_gt                2849
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0808P)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         4812
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1065
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1523
_refine_ls_wR_factor_gt          0.1213
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.011
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C24 C 0.5666(2) 0.55713(12) 0.15661(13) 0.0430(5) Uani 1 1 d . . .
C7 C 0.54091(17) 0.83812(12) 0.21920(12) 0.0379(5) Uani 1 1 d . . .
C4 C 0.59818(18) 0.89817(12) 0.15545(12) 0.0372(5) Uani 1 1 d . . .
C22 C 0.66196(19) 0.70328(13) 0.17481(13) 0.0453(5) Uani 1 1 d . . .
H22A H 0.7327 0.7395 0.1724 0.054 Uiso 1 1 calc R . .
C21 C 0.54955(18) 0.74037(12) 0.19925(12) 0.0386(5) Uani 1 1 d . . .
C8 C 0.48498(18) 0.86956(12) 0.28872(12) 0.0391(5) Uani 1 1 d . . .
C9 C 0.45745(18) 0.96675(12) 0.30067(12) 0.0388(5) Uani 1 1 d . . .
C26 C 0.44594(19) 0.68379(13) 0.20043(13) 0.0449(5) Uani 1 1 d . . .
H26A H 0.3694 0.7071 0.2154 0.054 Uiso 1 1 calc R . .
C23 C 0.6695(2) 0.61390(13) 0.15426(13) 0.0469(5) Uani 1 1 d . . .
H23A H 0.7456 0.5909 0.1383 0.056 Uiso 1 1 calc R . .
C15 C 0.44676(19) 0.81044(12) 0.36038(12) 0.0398(5) Uani 1 1 d . . .
C25 C 0.4538(2) 0.59393(13) 0.18002(13) 0.0472(5) Uani 1 1 d . . .
H25A H 0.3829 0.5576 0.1819 0.057 Uiso 1 1 calc R . .
C10 C 0.38873(19) 1.01570(13) 0.23753(13) 0.0477(5) Uani 1 1 d . . .
H10A H 0.3599 0.9877 0.1861 0.057 Uiso 1 1 calc R . .
C20 C 0.3279(2) 0.81948(14) 0.39165(13) 0.0498(6) Uani 1 1 d . . .
H20A H 0.2717 0.8616 0.3669 0.060 Uiso 1 1 calc R . .
C5 C 0.6832(2) 0.96448(13) 0.18150(14) 0.0506(6) Uani 1 1 d . . .
H5A H 0.7028 0.9742 0.2403 0.061 Uiso 1 1 calc R . .
C3 C 0.5711(2) 0.88544(13) 0.06712(13) 0.0473(5) Uani 1 1 d . . .
H3A H 0.5149 0.8407 0.0479 0.057 Uiso 1 1 calc R . .
C11 C 0.3624(2) 1.10533(15) 0.24960(16) 0.0592(6) Uani 1 1 d . . .
H11A H 0.3163 1.1372 0.2064 0.071 Uiso 1 1 calc R . .
C14 C 0.4969(2) 1.01040(13) 0.37740(14) 0.0499(6) Uani 1 1 d . . .
H14A H 0.5417 0.9787 0.4213 0.060 Uiso 1 1 calc R . .
C27 C 0.5786(2) 0.46090(13) 0.13365(14) 0.0490(5) Uani 1 1 d . . .
C6 C 0.7398(2) 1.01670(15) 0.12138(17) 0.0634(7) Uani 1 1 d . . .
H6A H 0.7976 1.0607 0.1400 0.076 Uiso 1 1 calc R . .
C13 C 0.4709(2) 1.09977(15) 0.38935(16) 0.0597(6) Uani 1 1 d . . .
H13A H 0.4986 1.1280 0.4409 0.072 Uiso 1 1 calc R . .
C16 C 0.5280(2) 0.74771(13) 0.39939(13) 0.0500(6) Uani 1 1 d . . .
H16A H 0.6080 0.7407 0.3797 0.060 Uiso 1 1 calc R . .
C12 C 0.4040(2) 1.14743(14) 0.32524(17) 0.0625(7) Uani 1 1 d . . .
H12A H 0.3871 1.2080 0.3331 0.075 Uiso 1 1 calc R . .
C18 C 0.3754(3) 0.70472(15) 0.49683(15) 0.0636(7) Uani 1 1 d . . .
H18A H 0.3517 0.6695 0.5425 0.076 Uiso 1 1 calc R . .
C17 C 0.4928(2) 0.69514(14) 0.46721(14) 0.0609(6) Uani 1 1 d . . .
H17A H 0.5488 0.6533 0.4927 0.073 Uiso 1 1 calc R . .
C1 C 0.7108(2) 1.00368(16) 0.03434(17) 0.0648(7) Uani 1 1 d . . .
H1A H 0.7481 1.0390 -0.0061 0.078 Uiso 1 1 calc R . .
C19 C 0.2927(2) 0.76645(16) 0.45902(14) 0.0607(6) Uani 1 1 d . . .
H19A H 0.2128 0.7726 0.4789 0.073 Uiso 1 1 calc R . .
C2 C 0.6268(2) 0.93850(16) 0.00775(15) 0.0615(7) Uani 1 1 d . . .
H2A H 0.6068 0.9297 -0.0512 0.074 Uiso 1 1 calc R . .
C28 C 0.6403(2) 0.43684(15) 0.06060(16) 0.0659(7) Uani 1 1 d . . .
H28A H 0.6696 0.4816 0.0254 0.079 Uiso 1 1 calc R . .
C32 C 0.5346(2) 0.39114(14) 0.18411(16) 0.0567(6) Uani 1 1 d . . .
C31 C 0.5537(3) 0.30163(16) 0.1617(2) 0.0768(8) Uani 1 1 d . . .
H31A H 0.5242 0.2560 0.1958 0.092 Uiso 1 1 calc R . .
C33 C 0.4715(3) 0.40772(16) 0.2623(2) 0.0692(7) Uani 1 1 d . . .
C29 C 0.6588(3) 0.34771(18) 0.03927(18) 0.0817(9) Uani 1 1 d . . .
H29A H 0.7009 0.3335 -0.0095 0.098 Uiso 1 1 calc R . .
N1 N 0.4208(3) 0.41566(17) 0.32395(19) 0.1053(9) Uani 1 1 d . . .
C30 C 0.6158(3) 0.28069(18) 0.0895(2) 0.0848(9) Uani 1 1 d . . .
H30A H 0.6285 0.2210 0.0749 0.102 Uiso 1 1 calc R . .


_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
C24 C23 1.386(3) . ?
C24 C25 1.392(3) . ?
C24 C27 1.486(3) . ?
C7 C8 1.351(3) . ?
C7 C4 1.495(3) . ?
C7 C21 1.494(3) . ?
C4 C5 1.380(3) . ?
C4 C3 1.389(3) . ?
C22 C23 1.374(3) . ?
C22 C21 1.395(3) . ?
C22 H22A 0.9300 . ?
C21 C26 1.389(3) . ?
C8 C9 1.492(3) . ?
C8 C15 1.496(3) . ?
C9 C10 1.385(3) . ?
C9 C14 1.392(3) . ?
C26 C25 1.380(3) . ?
C26 H26A 0.9300 . ?
C23 H23A 0.9300 . ?
C15 C16 1.382(3) . ?
C15 C20 1.394(3) . ?
C25 H25A 0.9300 . ?
C10 C11 1.381(3) . ?
C10 H10A 0.9300 . ?
C20 C19 1.382(3) . ?
C20 H20A 0.9300 . ?
C5 C6 1.384(3) . ?
C5 H5A 0.9300 . ?
C3 C2 1.379(3) . ?
C3 H3A 0.9300 . ?
C11 C12 1.373(3) . ?
C11 H11A 0.9300 . ?
C14 C13 1.376(3) . ?
C14 H14A 0.9300 . ?
C27 C28 1.395(3) . ?
C27 C32 1.401(3) . ?
C6 C1 1.373(3) . ?
C6 H6A 0.9300 . ?
C13 C12 1.375(3) . ?
C13 H13A 0.9300 . ?
C16 C17 1.383(3) . ?
C16 H16A 0.9300 . ?
C12 H12A 0.9300 . ?
C18 C17 1.369(3) . ?
C18 C19 1.374(3) . ?
C18 H18A 0.9300 . ?
C17 H17A 0.9300 . ?
C1 C2 1.363(3) . ?
C1 H1A 0.9300 . ?
C19 H19A 0.9300 . ?
C2 H2A 0.9300 . ?
C28 C29 1.387(3) . ?
C28 H28A 0.9300 . ?
C32 C31 1.397(3) . ?
C32 C33 1.447(4) . ?
C31 C30 1.375(4) . ?
C31 H31A 0.9300 . ?
C33 N1 1.136(3) . ?
C29 C30 1.365(4) . ?
C29 H29A 0.9300 . ?
C30 H30A 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
C23 C24 C25 117.64(18) . . ?
C23 C24 C27 120.12(19) . . ?
C25 C24 C27 122.23(19) . . ?
C8 C7 C4 122.85(17) . . ?
C8 C7 C21 122.71(17) . . ?
C4 C7 C21 114.44(16) . . ?
C5 C4 C3 118.00(18) . . ?
C5 C4 C7 121.78(17) . . ?
C3 C4 C7 120.15(17) . . ?
C23 C22 C21 120.85(19) . . ?
C23 C22 H22A 119.6 . . ?
C21 C22 H22A 119.6 . . ?
C26 C21 C22 117.39(17) . . ?
C26 C21 C7 121.91(17) . . ?
C22 C21 C7 120.65(17) . . ?
C7 C8 C9 122.51(17) . . ?
C7 C8 C15 123.06(17) . . ?
C9 C8 C15 114.43(16) . . ?
C10 C9 C14 117.81(18) . . ?
C10 C9 C8 121.50(18) . . ?
C14 C9 C8 120.66(18) . . ?
C25 C26 C21 121.67(19) . . ?
C25 C26 H26A 119.2 . . ?
C21 C26 H26A 119.2 . . ?
C22 C23 C24 121.80(19) . . ?
C22 C23 H23A 119.1 . . ?
C24 C23 H23A 119.1 . . ?
C16 C15 C20 117.95(18) . . ?
C16 C15 C8 121.80(18) . . ?
C20 C15 C8 120.23(18) . . ?
C26 C25 C24 120.64(19) . . ?
C26 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
C11 C10 C9 121.1(2) . . ?
C11 C10 H10A 119.5 . . ?
C9 C10 H10A 119.5 . . ?
C19 C20 C15 120.6(2) . . ?
C19 C20 H20A 119.7 . . ?
C15 C20 H20A 119.7 . . ?
C4 C5 C6 121.0(2) . . ?
C4 C5 H5A 119.5 . . ?
C6 C5 H5A 119.5 . . ?
C2 C3 C4 120.6(2) . . ?
C2 C3 H3A 119.7 . . ?
C4 C3 H3A 119.7 . . ?
C12 C11 C10 120.1(2) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C13 C14 C9 121.1(2) . . ?
C13 C14 H14A 119.5 . . ?
C9 C14 H14A 119.5 . . ?
C28 C27 C32 117.2(2) . . ?
C28 C27 C24 119.7(2) . . ?
C32 C27 C24 123.1(2) . . ?
C1 C6 C5 120.1(2) . . ?
C1 C6 H6A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C12 C13 C14 120.1(2) . . ?
C12 C13 H13A 119.9 . . ?
C14 C13 H13A 119.9 . . ?
C15 C16 C17 121.2(2) . . ?
C15 C16 H16A 119.4 . . ?
C17 C16 H16A 119.4 . . ?
C11 C12 C13 119.8(2) . . ?
C11 C12 H12A 120.1 . . ?
C13 C12 H12A 120.1 . . ?
C17 C18 C19 119.9(2) . . ?
C17 C18 H18A 120.0 . . ?
C19 C18 H18A 120.0 . . ?
C18 C17 C16 120.0(2) . . ?
C18 C17 H17A 120.0 . . ?
C16 C17 H17A 120.0 . . ?
C2 C1 C6 119.5(2) . . ?
C2 C1 H1A 120.3 . . ?
C6 C1 H1A 120.3 . . ?
C18 C19 C20 120.3(2) . . ?
C18 C19 H19A 119.9 . . ?
C20 C19 H19A 119.9 . . ?
C1 C2 C3 120.8(2) . . ?
C1 C2 H2A 119.6 . . ?
C3 C2 H2A 119.6 . . ?
C29 C28 C27 121.5(2) . . ?
C29 C28 H28A 119.2 . . ?
C27 C28 H28A 119.2 . . ?
C31 C32 C27 120.6(3) . . ?
C31 C32 C33 117.1(2) . . ?
C27 C32 C33 122.2(2) . . ?
C30 C31 C32 120.4(3) . . ?
C30 C31 H31A 119.8 . . ?
C32 C31 H31A 119.8 . . ?
N1 C33 C32 176.1(3) . . ?
C30 C29 C28 120.4(3) . . ?
C30 C29 H29A 119.8 . . ?
C28 C29 H29A 119.8 . . ?
C29 C30 C31 119.8(2) . . ?
C29 C30 H30A 120.1 . . ?
C31 C30 H30A 120.1 . . ?

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
C8 C7 C4 C5 51.0(3) . . . . ?
C21 C7 C4 C5 -129.49(19) . . . . ?
C8 C7 C4 C3 -132.1(2) . . . . ?
C21 C7 C4 C3 47.4(2) . . . . ?
C23 C22 C21 C26 -1.1(3) . . . . ?
C23 C22 C21 C7 -178.32(18) . . . . ?
C8 C7 C21 C26 47.6(3) . . . . ?
C4 C7 C21 C26 -131.89(19) . . . . ?
C8 C7 C21 C22 -135.3(2) . . . . ?
C4 C7 C21 C22 45.2(2) . . . . ?
C4 C7 C8 C9 9.8(3) . . . . ?
C21 C7 C8 C9 -169.59(18) . . . . ?
C4 C7 C8 C15 -169.51(18) . . . . ?
C21 C7 C8 C15 11.1(3) . . . . ?
C7 C8 C9 C10 54.3(3) . . . . ?
C15 C8 C9 C10 -126.28(19) . . . . ?
C7 C8 C9 C14 -127.8(2) . . . . ?
C15 C8 C9 C14 51.6(2) . . . . ?
C22 C21 C26 C25 1.3(3) . . . . ?
C7 C21 C26 C25 178.49(18) . . . . ?
C21 C22 C23 C24 0.2(3) . . . . ?
C25 C24 C23 C22 0.5(3) . . . . ?
C27 C24 C23 C22 179.82(19) . . . . ?
C7 C8 C15 C16 48.5(3) . . . . ?
C9 C8 C15 C16 -130.94(19) . . . . ?
C7 C8 C15 C20 -133.6(2) . . . . ?
C9 C8 C15 C20 47.0(3) . . . . ?
C21 C26 C25 C24 -0.6(3) . . . . ?
C23 C24 C25 C26 -0.3(3) . . . . ?
C27 C24 C25 C26 -179.60(19) . . . . ?
C14 C9 C10 C11 1.2(3) . . . . ?
C8 C9 C10 C11 179.18(18) . . . . ?
C16 C15 C20 C19 -0.6(3) . . . . ?
C8 C15 C20 C19 -178.64(19) . . . . ?
C3 C4 C5 C6 0.0(3) . . . . ?
C7 C4 C5 C6 176.94(19) . . . . ?
C5 C4 C3 C2 -0.8(3) . . . . ?
C7 C4 C3 C2 -177.78(19) . . . . ?
C9 C10 C11 C12 -0.2(3) . . . . ?
C10 C9 C14 C13 -1.4(3) . . . . ?
C8 C9 C14 C13 -179.34(19) . . . . ?
C23 C24 C27 C28 -44.9(3) . . . . ?
C25 C24 C27 C28 134.4(2) . . . . ?
C23 C24 C27 C32 132.6(2) . . . . ?
C25 C24 C27 C32 -48.1(3) . . . . ?
C4 C5 C6 C1 0.7(3) . . . . ?
C9 C14 C13 C12 0.5(3) . . . . ?
C20 C15 C16 C17 0.2(3) . . . . ?
C8 C15 C16 C17 178.19(19) . . . . ?
C10 C11 C12 C13 -0.7(3) . . . . ?
C14 C13 C12 C11 0.6(4) . . . . ?
C19 C18 C17 C16 0.1(4) . . . . ?
C15 C16 C17 C18 0.0(3) . . . . ?
C5 C6 C1 C2 -0.6(4) . . . . ?
C17 C18 C19 C20 -0.5(4) . . . . ?
C15 C20 C19 C18 0.8(3) . . . . ?
C6 C1 C2 C3 -0.2(4) . . . . ?
C4 C3 C2 C1 0.9(3) . . . . ?
C32 C27 C28 C29 -0.8(4) . . . . ?
C24 C27 C28 C29 176.8(2) . . . . ?
C28 C27 C32 C31 0.6(3) . . . . ?
C24 C27 C32 C31 -176.9(2) . . . . ?
C28 C27 C32 C33 178.7(2) . . . . ?
C24 C27 C32 C33 1.2(3) . . . . ?
C27 C32 C31 C30 -0.1(4) . . . . ?
C33 C32 C31 C30 -178.3(2) . . . . ?
C31 C32 C33 N1 -7(5) . . . . ?
C27 C32 C33 N1 175(5) . . . . ?
C27 C28 C29 C30 0.5(4) . . . . ?
C28 C29 C30 C31 0.0(4) . . . . ?
C32 C31 C30 C29 -0.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.175
_refine_diff_density_min         -0.201
_refine_diff_density_rms         0.047
####################################################################### 
# 
# 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_WANGS2_0m
_database_code_depnum_ccdc_archive 'CCDC 1553507'
_audit_update_record             
;
2017-06-01 deposited with the CCDC.
2017-08-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H23 N'
_chemical_formula_weight         433.52

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'

_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                   10.5396(17)
_cell_length_b                   10.8992(17)
_cell_length_c                   11.6905(18)
_cell_angle_alpha                75.586(2)
_cell_angle_beta                 72.924(2)
_cell_angle_gamma                75.975(2)
_cell_volume                     1222.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3266
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      26.98

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_F_000             456
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.068
_shelx_estimated_absorpt_T_min   0.980
_shelx_estimated_absorpt_T_max   0.987
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(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            9243
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.570
_diffrn_reflns_theta_max         25.994
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             4753
_reflns_number_gt                3366
_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 SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0537P)²+0.1991P] 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         4753
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0423
_refine_ls_wR_factor_ref         0.1199
_refine_ls_wR_factor_gt          0.1040
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.021
_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
C27 C 0.31590(15) 0.39622(15) 0.12326(13) 0.0436(4) Uani 1 1 d . . . . .
C24 C 0.39142(15) 0.35755(14) 0.21966(13) 0.0417(3) Uani 1 1 d . . . . .
C7 C 0.54340(15) 0.19796(14) 0.62376(13) 0.0425(3) Uani 1 1 d . . . . .
C26 C 0.53933(16) 0.40118(15) 0.32227(14) 0.0484(4) Uani 1 1 d . . . . .
H26 H 0.5934 0.4549 0.3267 0.058 Uiso 1 1 calc R U . . .
C8 C 0.39581(15) 0.19498(15) 0.66758(13) 0.0427(3) Uani 1 1 d . . . . .
C22 C 0.45122(16) 0.20684(15) 0.39412(14) 0.0461(4) Uani 1 1 d . . . . .
H22 H 0.4447 0.1285 0.4478 0.055 Uiso 1 1 calc R U . . .
C14 C 0.60059(15) 0.25192(14) 0.50718(13) 0.0418(3) Uani 1 1 d . . . . .
C23 C 0.38423(16) 0.24153(14) 0.30242(14) 0.0462(4) Uani 1 1 d . . . . .
H23 H 0.3332 0.1862 0.2958 0.055 Uiso 1 1 calc R U . . .
C21 C 0.52883(15) 0.28728(14) 0.40787(13) 0.0416(3) Uani 1 1 d . . . . .
C32 C 0.26072(16) 0.52469(16) 0.08645(14) 0.0486(4) Uani 1 1 d . . . . .
H32 H 0.2711 0.5873 0.1227 0.058 Uiso 1 1 calc R U . . .
C31 C 0.19030(16) 0.56057(16) -0.00395(14) 0.0502(4) Uani 1 1 d . . . . .
C25 C 0.47161(16) 0.43656(15) 0.23084(14) 0.0478(4) Uani 1 1 d . . . . .
H25 H 0.4796 0.5141 0.1760 0.057 Uiso 1 1 calc R U . . .
C4 C 0.62330(15) 0.14262(14) 0.71738(14) 0.0455(4) Uani 1 1 d . . . . .
C15 C 0.73868(15) 0.28286(14) 0.47264(13) 0.0428(4) Uani 1 1 d . . . . .
C13 C 0.30118(16) 0.30618(16) 0.64752(14) 0.0486(4) Uani 1 1 d . . . . .
H13 H 0.3303 0.3828 0.6054 0.058 Uiso 1 1 calc R U . . .
C29 C 0.22601(17) 0.34116(18) -0.02228(15) 0.0571(4) Uani 1 1 d . . . . .
H29 H 0.2147 0.2787 -0.0582 0.069 Uiso 1 1 calc R U . . .
C5 C 0.74959(17) 0.06373(15) 0.69162(17) 0.0547(4) Uani 1 1 d . . . . .
H5 H 0.7848 0.0418 0.6150 0.066 Uiso 1 1 calc R U . . .
C28 C 0.29583(16) 0.30492(17) 0.06825(14) 0.0508(4) Uani 1 1 d . . . . .
H28 H 0.3299 0.2182 0.0927 0.061 Uiso 1 1 calc R U . . .
C16 C 0.77434(16) 0.34913(15) 0.54236(15) 0.0493(4) Uani 1 1 d . . . . .
H16 H 0.7104 0.3765 0.6093 0.059 Uiso 1 1 calc R U . . .
C33 C 0.13178(19) 0.6938(2) -0.03856(16) 0.0602(5) Uani 1 1 d . . . . .
C30 C 0.17356(17) 0.46817(18) -0.05925(15) 0.0565(4) Uani 1 1 d . . . . .
H30 H 0.1274 0.4923 -0.1204 0.068 Uiso 1 1 calc R U . . .
C9 C 0.34857(19) 0.08270(17) 0.73256(15) 0.0582(4) Uani 1 1 d . . . . .
H9 H 0.4096 0.0076 0.7500 0.070 Uiso 1 1 calc R U . . .
C12 C 0.16482(18) 0.3048(2) 0.68898(17) 0.0635(5) Uani 1 1 d . . . . .
H12 H 0.1030 0.3806 0.6757 0.076 Uiso 1 1 calc R U . . .
C3 C 0.57339(19) 0.16943(19) 0.83407(15) 0.0639(5) Uani 1 1 d . . . . .
H3 H 0.4882 0.2197 0.8547 0.077 Uiso 1 1 calc R U . . .
C20 C 0.83432(17) 0.24980(18) 0.36967(16) 0.0604(5) Uani 1 1 d . . . . .
H20 H 0.8119 0.2083 0.3197 0.072 Uiso 1 1 calc R U . . .
C11 C 0.1197(2) 0.1930(2) 0.74942(18) 0.0743(6) Uani 1 1 d . . . . .
H11 H 0.0276 0.1922 0.7754 0.089 Uiso 1 1 calc R U . . .
C10 C 0.2107(2) 0.0818(2) 0.77164(17) 0.0742(6) Uani 1 1 d . . . . .
H10 H 0.1801 0.0057 0.8130 0.089 Uiso 1 1 calc R U . . .
C6 C 0.8233(2) 0.01761(17) 0.7789(2) 0.0698(5) Uani 1 1 d . . . . .
H6 H 0.9080 -0.0340 0.7599 0.084 Uiso 1 1 calc R U . . .
C17 C 0.90254(18) 0.37485(18) 0.51396(18) 0.0645(5) Uani 1 1 d . . . . .
H17 H 0.9254 0.4172 0.5629 0.077 Uiso 1 1 calc R U . . .
C2 C 0.6485(2) 0.1225(2) 0.92065(18) 0.0817(6) Uani 1 1 d . . . . .
H2 H 0.6137 0.1425 0.9980 0.098 Uiso 1 1 calc R U . . .
N1 N 0.0834(2) 0.79918(18) -0.06546(17) 0.0832(5) Uani 1 1 d . . . . .
C19 C 0.96252(19) 0.2777(2) 0.3403(2) 0.0759(6) Uani 1 1 d . . . . .
H19 H 1.0255 0.2554 0.2707 0.091 Uiso 1 1 calc R U . . .
C18 C 0.99687(19) 0.3381(2) 0.4135(2) 0.0775(6) Uani 1 1 d . . . . .
H18 H 1.0840 0.3543 0.3951 0.093 Uiso 1 1 calc R U . . .
C1 C 0.7733(2) 0.0470(2) 0.8927(2) 0.0785(6) Uani 1 1 d . . . . .
H1 H 0.8236 0.0160 0.9506 0.094 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
C27 C32 1.392(2) . ?
C27 C28 1.396(2) . ?
C27 C24 1.486(2) . ?
C24 C23 1.391(2) . ?
C24 C25 1.395(2) . ?
C7 C14 1.363(2) . ?
C7 C8 1.494(2) . ?
C7 C4 1.496(2) . ?
C26 C25 1.382(2) . ?
C26 C21 1.392(2) . ?
C26 H26 0.9300 . ?
C8 C13 1.389(2) . ?
C8 C9 1.390(2) . ?
C22 C23 1.380(2) . ?
C22 C21 1.399(2) . ?
C22 H22 0.9300 . ?
C14 C21 1.490(2) . ?
C14 C15 1.490(2) . ?
C23 H23 0.9300 . ?
C32 C31 1.391(2) . ?
C32 H32 0.9300 . ?
C31 C30 1.393(2) . ?
C31 C33 1.439(3) . ?
C25 H25 0.9300 . ?
C4 C3 1.388(2) . ?
C4 C5 1.393(2) . ?
C15 C20 1.387(2) . ?
C15 C16 1.390(2) . ?
C13 C12 1.378(2) . ?
C13 H13 0.9300 . ?
C29 C30 1.371(2) . ?
C29 C28 1.388(2) . ?
C29 H29 0.9300 . ?
C5 C6 1.386(2) . ?
C5 H5 0.9300 . ?
C28 H28 0.9300 . ?
C16 C17 1.374(2) . ?
C16 H16 0.9300 . ?
C33 N1 1.144(2) . ?
C30 H30 0.9300 . ?
C9 C10 1.391(3) . ?
C9 H9 0.9300 . ?
C12 C11 1.366(3) . ?
C12 H12 0.9300 . ?
C3 C2 1.389(3) . ?
C3 H3 0.9300 . ?
C20 C19 1.382(3) . ?
C20 H20 0.9300 . ?
C11 C10 1.371(3) . ?
C11 H11 0.9300 . ?
C10 H10 0.9300 . ?
C6 C1 1.367(3) . ?
C6 H6 0.9300 . ?
C17 C18 1.372(3) . ?
C17 H17 0.9300 . ?
C2 C1 1.368(3) . ?
C2 H2 0.9300 . ?
C19 C18 1.370(3) . ?
C19 H19 0.9300 . ?
C18 H18 0.9300 . ?
C1 H1 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
C32 C27 C28 117.80(14) . . ?
C32 C27 C24 120.95(13) . . ?
C28 C27 C24 121.24(14) . . ?
C23 C24 C25 117.55(14) . . ?
C23 C24 C27 121.22(13) . . ?
C25 C24 C27 121.22(13) . . ?
C14 C7 C8 122.12(13) . . ?
C14 C7 C4 122.17(13) . . ?
C8 C7 C4 115.67(12) . . ?
C25 C26 C21 121.79(14) . . ?
C25 C26 H26 119.1 . . ?
C21 C26 H26 119.1 . . ?
C13 C8 C9 117.88(15) . . ?
C13 C8 C7 120.61(13) . . ?
C9 C8 C7 121.48(15) . . ?
C23 C22 C21 121.29(14) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C7 C14 C21 122.74(13) . . ?
C7 C14 C15 121.31(13) . . ?
C21 C14 C15 115.92(12) . . ?
C22 C23 C24 121.42(13) . . ?
C22 C23 H23 119.3 . . ?
C24 C23 H23 119.3 . . ?
C26 C21 C22 116.98(13) . . ?
C26 C21 C14 121.02(13) . . ?
C22 C21 C14 121.97(13) . . ?
C31 C32 C27 120.80(15) . . ?
C31 C32 H32 119.6 . . ?
C27 C32 H32 119.6 . . ?
C32 C31 C30 120.46(16) . . ?
C32 C31 C33 119.69(15) . . ?
C30 C31 C33 119.83(15) . . ?
C26 C25 C24 120.90(14) . . ?
C26 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C3 C4 C5 117.50(15) . . ?
C3 C4 C7 120.50(14) . . ?
C5 C4 C7 122.00(14) . . ?
C20 C15 C16 117.84(15) . . ?
C20 C15 C14 121.78(14) . . ?
C16 C15 C14 120.36(13) . . ?
C12 C13 C8 121.06(16) . . ?
C12 C13 H13 119.5 . . ?
C8 C13 H13 119.5 . . ?
C30 C29 C28 120.62(15) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C6 C5 C4 120.68(17) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C29 C28 C27 121.22(16) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C17 C16 C15 121.07(16) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
N1 C33 C31 179.0(2) . . ?
C29 C30 C31 119.08(15) . . ?
C29 C30 H30 120.5 . . ?
C31 C30 H30 120.5 . . ?
C8 C9 C10 120.52(17) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C11 C12 C13 120.48(19) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C4 C3 C2 121.14(18) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C19 C20 C15 120.84(17) . . ?
C19 C20 H20 119.6 . . ?
C15 C20 H20 119.6 . . ?
C12 C11 C10 119.80(18) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C10 C9 120.21(18) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C1 C6 C5 120.85(19) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C18 C17 C16 120.10(17) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C1 C2 C3 120.35(19) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C18 C19 C20 120.10(18) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C18 C17 119.94(17) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C6 C1 C2 119.44(19) . . ?
C6 C1 H1 120.3 . . ?
C2 C1 H1 120.3 . . ?

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
C32 C27 C24 C23 144.61(15) . . . . ?
C28 C27 C24 C23 -34.2(2) . . . . ?
C32 C27 C24 C25 -35.1(2) . . . . ?
C28 C27 C24 C25 146.10(15) . . . . ?
C14 C7 C8 C13 -49.8(2) . . . . ?
C4 C7 C8 C13 127.88(15) . . . . ?
C14 C7 C8 C9 132.17(16) . . . . ?
C4 C7 C8 C9 -50.15(19) . . . . ?
C8 C7 C14 C21 -13.0(2) . . . . ?
C4 C7 C14 C21 169.44(13) . . . . ?
C8 C7 C14 C15 165.02(13) . . . . ?
C4 C7 C14 C15 -12.5(2) . . . . ?
C21 C22 C23 C24 0.2(2) . . . . ?
C25 C24 C23 C22 1.5(2) . . . . ?
C27 C24 C23 C22 -178.21(14) . . . . ?
C25 C26 C21 C22 2.8(2) . . . . ?
C25 C26 C21 C14 -178.86(14) . . . . ?
C23 C22 C21 C26 -2.3(2) . . . . ?
C23 C22 C21 C14 179.33(14) . . . . ?
C7 C14 C21 C26 139.51(16) . . . . ?
C15 C14 C21 C26 -38.65(19) . . . . ?
C7 C14 C21 C22 -42.2(2) . . . . ?
C15 C14 C21 C22 139.61(15) . . . . ?
C28 C27 C32 C31 -1.2(2) . . . . ?
C24 C27 C32 C31 179.89(14) . . . . ?
C27 C32 C31 C30 0.1(2) . . . . ?
C27 C32 C31 C33 178.70(15) . . . . ?
C21 C26 C25 C24 -1.1(2) . . . . ?
C23 C24 C25 C26 -1.0(2) . . . . ?
C27 C24 C25 C26 178.66(14) . . . . ?
C14 C7 C4 C3 134.88(17) . . . . ?
C8 C7 C4 C3 -42.8(2) . . . . ?
C14 C7 C4 C5 -44.7(2) . . . . ?
C8 C7 C4 C5 137.62(15) . . . . ?
C7 C14 C15 C20 133.23(17) . . . . ?
C21 C14 C15 C20 -48.6(2) . . . . ?
C7 C14 C15 C16 -48.3(2) . . . . ?
C21 C14 C15 C16 129.93(15) . . . . ?
C9 C8 C13 C12 -1.0(2) . . . . ?
C7 C8 C13 C12 -179.14(14) . . . . ?
C3 C4 C5 C6 -1.9(2) . . . . ?
C7 C4 C5 C6 177.69(15) . . . . ?
C30 C29 C28 C27 -0.7(2) . . . . ?
C32 C27 C28 C29 1.5(2) . . . . ?
C24 C27 C28 C29 -179.61(14) . . . . ?
C20 C15 C16 C17 -3.5(2) . . . . ?
C14 C15 C16 C17 177.93(15) . . . . ?
C28 C29 C30 C31 -0.5(2) . . . . ?
C32 C31 C30 C29 0.8(2) . . . . ?
C33 C31 C30 C29 -177.79(16) . . . . ?
C13 C8 C9 C10 2.4(2) . . . . ?
C7 C8 C9 C10 -179.47(15) . . . . ?
C8 C13 C12 C11 -1.0(3) . . . . ?
C5 C4 C3 C2 1.9(3) . . . . ?
C7 C4 C3 C2 -177.69(17) . . . . ?
C16 C15 C20 C19 2.4(3) . . . . ?
C14 C15 C20 C19 -179.02(16) . . . . ?
C13 C12 C11 C10 1.6(3) . . . . ?
C12 C11 C10 C9 -0.2(3) . . . . ?
C8 C9 C10 C11 -1.9(3) . . . . ?
C4 C5 C6 C1 0.8(3) . . . . ?
C15 C16 C17 C18 1.8(3) . . . . ?
C4 C3 C2 C1 -0.8(3) . . . . ?
C15 C20 C19 C18 0.4(3) . . . . ?
C20 C19 C18 C17 -2.1(3) . . . . ?
C16 C17 C18 C19 1.1(3) . . . . ?
C5 C6 C1 C2 0.3(3) . . . . ?
C3 C2 C1 C6 -0.3(3) . . . . ?

_refine_diff_density_max         0.145
_refine_diff_density_min         -0.162
_refine_diff_density_rms         0.032

