# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_shelxl

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H22 N2 O'
_chemical_formula_weight         450.52

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   12.3316(7)
_cell_length_b                   21.3475(11)
_cell_length_c                   8.8212(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.340(3)
_cell_angle_gamma                90.00
_cell_volume                     2320.2(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6011
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      24.47

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             944
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9232
_exptl_absorpt_correction_T_max  0.9807
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(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  'bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            29016
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0457
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.50
_diffrn_reflns_theta_max         30.64
_reflns_number_total             7155
_reflns_number_gt                3953
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    
'ORTEP3 (Farrugia, 1997) and Mercury (Macrae et al., 2008)'
_computing_publication_material  'PLATON (Spek, 2009)'

_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)+(0.0606P)²+0.1635P] 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         7155
_refine_ls_number_parameters     317
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0528
_refine_ls_wR_factor_ref         0.1422
_refine_ls_wR_factor_gt          0.1186
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.001
_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
C1 C 0.16539(10) 0.45541(6) 0.24581(15) 0.0389(3) Uani 1 1 d . . .
C2 C 0.16399(11) 0.40814(6) 0.13120(15) 0.0402(3) Uani 1 1 d . . .
C3 C 0.09818(12) 0.41230(7) -0.00152(16) 0.0499(4) Uani 1 1 d . . .
H3 H 0.0497 0.4454 -0.0141 0.060 Uiso 1 1 calc R . .
C4 C 0.10460(14) 0.36818(7) -0.11250(18) 0.0578(4) Uani 1 1 d . . .
H4 H 0.0617 0.3718 -0.2013 0.069 Uiso 1 1 calc R . .
C5 C 0.17501(14) 0.31794(7) -0.09309(19) 0.0597(4) Uani 1 1 d . . .
H5 H 0.1799 0.2882 -0.1695 0.072 Uiso 1 1 calc R . .
C6 C 0.23717(13) 0.31193(7) 0.03755(18) 0.0529(4) Uani 1 1 d . . .
H6 H 0.2825 0.2773 0.0497 0.063 Uiso 1 1 calc R . .
C7 C 0.23462(11) 0.35651(6) 0.15414(16) 0.0418(3) Uani 1 1 d . . .
C8 C 0.30344(11) 0.35189(6) 0.29301(16) 0.0411(3) Uani 1 1 d . . .
C9 C 0.37794(13) 0.30252(7) 0.31596(18) 0.0512(4) Uani 1 1 d . . .
H9 H 0.3827 0.2719 0.2415 0.061 Uiso 1 1 calc R . .
C10 C 0.44363(13) 0.29816(7) 0.44453(19) 0.0555(4) Uani 1 1 d . . .
H10 H 0.4937 0.2657 0.4549 0.067 Uiso 1 1 calc R . .
C11 C 0.43548(13) 0.34188(7) 0.55850(19) 0.0550(4) Uani 1 1 d . . .
H11 H 0.4787 0.3382 0.6469 0.066 Uiso 1 1 calc R . .
C12 C 0.36417(12) 0.39060(7) 0.54203(17) 0.0490(4) Uani 1 1 d . . .
H12 H 0.3584 0.4194 0.6204 0.059 Uiso 1 1 calc R . .
C13 C 0.29952(10) 0.39789(6) 0.40863(15) 0.0395(3) Uani 1 1 d . . .
C14 C 0.22954(10) 0.45033(6) 0.37634(15) 0.0375(3) Uani 1 1 d . . .
C15 C 0.13975(11) 0.53998(6) 0.36803(15) 0.0401(3) Uani 1 1 d . . .
C16 C 0.10841(11) 0.60407(6) 0.41203(16) 0.0421(3) Uani 1 1 d . . .
C17 C 0.02480(13) 0.61368(8) 0.50575(18) 0.0572(4) Uani 1 1 d . . .
H17 H -0.0111 0.5795 0.5455 0.069 Uiso 1 1 calc R . .
C18 C -0.00769(16) 0.67418(9) 0.5428(2) 0.0729(5) Uani 1 1 d . . .
H18 H -0.0660 0.6800 0.6049 0.087 Uiso 1 1 calc R . .
C19 C 0.04524(15) 0.72449(8) 0.4889(2) 0.0712(5) Uani 1 1 d . . .
H19 H 0.0229 0.7645 0.5150 0.085 Uiso 1 1 calc R . .
C20 C 0.13327(13) 0.71735(7) 0.39408(18) 0.0532(4) Uani 1 1 d . . .
C21 C 0.19122(16) 0.76897(8) 0.3382(2) 0.0706(5) Uani 1 1 d . . .
H21 H 0.1714 0.8094 0.3654 0.085 Uiso 1 1 calc R . .
C22 C 0.27491(16) 0.76070(9) 0.2459(2) 0.0751(5) Uani 1 1 d . . .
H22 H 0.3124 0.7952 0.2106 0.090 Uiso 1 1 calc R . .
C23 C 0.30499(15) 0.70046(8) 0.2037(2) 0.0684(5) Uani 1 1 d . . .
H23 H 0.3621 0.6952 0.1393 0.082 Uiso 1 1 calc R . .
C24 C 0.25214(12) 0.64925(7) 0.25513(17) 0.0523(4) Uani 1 1 d . . .
H24 H 0.2735 0.6095 0.2256 0.063 Uiso 1 1 calc R . .
C25 C 0.16520(11) 0.65598(6) 0.35292(16) 0.0424(3) Uani 1 1 d . . .
C26 C 0.26315(11) 0.52549(6) 0.59670(15) 0.0392(3) Uani 1 1 d . . .
C27 C 0.36655(12) 0.54874(7) 0.59721(16) 0.0469(3) Uani 1 1 d . . .
H27 H 0.4011 0.5534 0.5061 0.056 Uiso 1 1 calc R . .
C28 C 0.42000(12) 0.56532(7) 0.73175(16) 0.0486(4) Uani 1 1 d . . .
H28 H 0.4906 0.5806 0.7319 0.058 Uiso 1 1 calc R . .
C29 C 0.36757(12) 0.55892(7) 0.86580(16) 0.0464(3) Uani 1 1 d . . .
C30 C 0.26195(13) 0.53727(8) 0.86447(17) 0.0558(4) Uani 1 1 d . . .
H30 H 0.2261 0.5342 0.9549 0.067 Uiso 1 1 calc R . .
C31 C 0.20959(12) 0.52031(7) 0.73047(17) 0.0497(4) Uani 1 1 d . . .
H31 H 0.1387 0.5055 0.7298 0.060 Uiso 1 1 calc R . .
C32 C 0.52383(14) 0.59307(10) 1.0120(2) 0.0740(5) Uani 1 1 d . . .
H32A H 0.5687 0.5630 0.9635 0.111 Uiso 1 1 calc R . .
H32B H 0.5484 0.5979 1.1160 0.111 Uiso 1 1 calc R . .
H32C H 0.5283 0.6326 0.9607 0.111 Uiso 1 1 calc R . .
N1 N 0.10917(9) 0.51136(5) 0.24161(13) 0.0439(3) Uani 1 1 d . . .
N2 N 0.21168(9) 0.50530(5) 0.45592(12) 0.0397(3) Uani 1 1 d . . .
O1 O 0.41435(9) 0.57189(6) 1.00578(11) 0.0665(3) 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
C1 C14 1.3744(18) . ?
C1 N1 1.3809(16) . ?
C1 C2 1.4279(18) . ?
C2 C3 1.3998(19) . ?
C2 C7 1.4142(19) . ?
C3 C4 1.363(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.364(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.4025(19) . ?
C6 H6 0.9300 . ?
C7 C8 1.4649(19) . ?
C8 C9 1.4073(19) . ?
C8 C13 1.4180(19) . ?
C9 C10 1.370(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.378(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.366(2) . ?
C11 H11 0.9300 . ?
C12 C13 1.4028(19) . ?
C12 H12 0.9300 . ?
C13 C14 1.4349(18) . ?
C14 N2 1.3897(16) . ?
C15 N1 1.3132(17) . ?
C15 N2 1.3710(17) . ?
C15 C16 1.4779(18) . ?
C16 C17 1.363(2) . ?
C16 C25 1.4214(19) . ?
C17 C18 1.395(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.353(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.405(2) . ?
C19 H19 0.9300 . ?
C20 C21 1.413(2) . ?
C20 C25 1.4195(19) . ?
C21 C22 1.352(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.393(2) . ?
C22 H22 0.9300 . ?
C23 C24 1.360(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.411(2) . ?
C24 H24 0.9300 . ?
C26 C27 1.3681(19) . ?
C26 C31 1.380(2) . ?
C26 N2 1.4375(16) . ?
C27 C28 1.3799(19) . ?
C27 H27 0.9300 . ?
C28 C29 1.377(2) . ?
C28 H28 0.9300 . ?
C29 O1 1.3696(16) . ?
C29 C30 1.382(2) . ?
C30 C31 1.372(2) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C32 O1 1.423(2) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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
C14 C1 N1 111.22(11) . . ?
C14 C1 C2 121.82(12) . . ?
N1 C1 C2 126.92(12) . . ?
C3 C2 C7 120.12(13) . . ?
C3 C2 C1 122.49(12) . . ?
C7 C2 C1 117.38(12) . . ?
C4 C3 C2 120.54(14) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.03(15) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.31(15) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C7 121.81(14) . . ?
C5 C6 H6 119.1 . . ?
C7 C6 H6 119.1 . . ?
C6 C7 C2 117.13(13) . . ?
C6 C7 C8 122.54(13) . . ?
C2 C7 C8 120.30(12) . . ?
C9 C8 C13 117.15(13) . . ?
C9 C8 C7 121.55(13) . . ?
C13 C8 C7 121.28(12) . . ?
C10 C9 C8 122.04(15) . . ?
C10 C9 H9 119.0 . . ?
C8 C9 H9 119.0 . . ?
C9 C10 C11 119.98(14) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.25(15) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 121.00(14) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 H12 119.5 . . ?
C12 C13 C8 119.45(12) . . ?
C12 C13 C14 124.72(12) . . ?
C8 C13 C14 115.81(12) . . ?
C1 C14 N2 105.01(11) . . ?
C1 C14 C13 123.28(12) . . ?
N2 C14 C13 131.68(12) . . ?
N1 C15 N2 112.69(12) . . ?
N1 C15 C16 125.77(12) . . ?
N2 C15 C16 121.43(12) . . ?
C17 C16 C25 120.09(13) . . ?
C17 C16 C15 120.72(13) . . ?
C25 C16 C15 119.17(12) . . ?
C16 C17 C18 120.86(15) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C19 C18 C17 120.34(16) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 121.23(15) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C21 122.48(15) . . ?
C19 C20 C25 118.78(14) . . ?
C21 C20 C25 118.75(15) . . ?
C22 C21 C20 121.17(16) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C21 C22 C23 119.98(17) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C24 C23 C22 121.09(17) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C23 C24 C25 120.57(15) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C24 C25 C20 118.44(13) . . ?
C24 C25 C16 122.89(13) . . ?
C20 C25 C16 118.67(13) . . ?
C27 C26 C31 120.31(13) . . ?
C27 C26 N2 119.36(12) . . ?
C31 C26 N2 120.32(12) . . ?
C26 C27 C28 120.55(13) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C29 C28 C27 119.24(13) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
O1 C29 C28 123.97(13) . . ?
O1 C29 C30 115.94(13) . . ?
C28 C29 C30 120.08(13) . . ?
C31 C30 C29 120.38(13) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C26 119.39(13) . . ?
C30 C31 H31 120.3 . . ?
C26 C31 H31 120.3 . . ?
O1 C32 H32A 109.5 . . ?
O1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
O1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C15 N1 C1 104.66(11) . . ?
C15 N2 C14 106.41(11) . . ?
C15 N2 C26 125.40(11) . . ?
C14 N2 C26 128.04(11) . . ?
C29 O1 C32 117.59(12) . . ?

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
C14 C1 C2 C3 179.25(13) . . . . ?
N1 C1 C2 C3 -3.2(2) . . . . ?
C14 C1 C2 C7 -2.35(19) . . . . ?
N1 C1 C2 C7 175.17(12) . . . . ?
C7 C2 C3 C4 -2.7(2) . . . . ?
C1 C2 C3 C4 175.66(13) . . . . ?
C2 C3 C4 C5 1.4(2) . . . . ?
C3 C4 C5 C6 0.8(2) . . . . ?
C4 C5 C6 C7 -1.7(2) . . . . ?
C5 C6 C7 C2 0.4(2) . . . . ?
C5 C6 C7 C8 -177.93(14) . . . . ?
C3 C2 C7 C6 1.77(19) . . . . ?
C1 C2 C7 C6 -176.67(12) . . . . ?
C3 C2 C7 C8 -179.86(12) . . . . ?
C1 C2 C7 C8 1.71(18) . . . . ?
C6 C7 C8 C9 1.1(2) . . . . ?
C2 C7 C8 C9 -177.15(13) . . . . ?
C6 C7 C8 C13 179.65(13) . . . . ?
C2 C7 C8 C13 1.36(19) . . . . ?
C13 C8 C9 C10 0.6(2) . . . . ?
C7 C8 C9 C10 179.18(13) . . . . ?
C8 C9 C10 C11 2.1(2) . . . . ?
C9 C10 C11 C12 -1.8(2) . . . . ?
C10 C11 C12 C13 -1.2(2) . . . . ?
C11 C12 C13 C8 3.9(2) . . . . ?
C11 C12 C13 C14 -174.40(13) . . . . ?
C9 C8 C13 C12 -3.53(19) . . . . ?
C7 C8 C13 C12 177.90(12) . . . . ?
C9 C8 C13 C14 174.92(12) . . . . ?
C7 C8 C13 C14 -3.66(18) . . . . ?
N1 C1 C14 N2 0.24(14) . . . . ?
C2 C1 C14 N2 178.12(11) . . . . ?
N1 C1 C14 C13 -177.98(11) . . . . ?
C2 C1 C14 C13 -0.1(2) . . . . ?
C12 C13 C14 C1 -178.54(13) . . . . ?
C8 C13 C14 C1 3.11(19) . . . . ?
C12 C13 C14 N2 3.8(2) . . . . ?
C8 C13 C14 N2 -174.60(13) . . . . ?
N1 C15 C16 C17 97.27(18) . . . . ?
N2 C15 C16 C17 -86.86(17) . . . . ?
N1 C15 C16 C25 -81.47(18) . . . . ?
N2 C15 C16 C25 94.40(16) . . . . ?
C25 C16 C17 C18 1.2(2) . . . . ?
C15 C16 C17 C18 -177.51(15) . . . . ?
C16 C17 C18 C19 -1.6(3) . . . . ?
C17 C18 C19 C20 0.4(3) . . . . ?
C18 C19 C20 C21 -178.89(18) . . . . ?
C18 C19 C20 C25 1.1(3) . . . . ?
C19 C20 C21 C22 -179.33(18) . . . . ?
C25 C20 C21 C22 0.7(3) . . . . ?
C20 C21 C22 C23 0.3(3) . . . . ?
C21 C22 C23 C24 -0.7(3) . . . . ?
C22 C23 C24 C25 0.0(3) . . . . ?
C23 C24 C25 C20 1.0(2) . . . . ?
C23 C24 C25 C16 -178.90(14) . . . . ?
C19 C20 C25 C24 178.66(15) . . . . ?
C21 C20 C25 C24 -1.3(2) . . . . ?
C19 C20 C25 C16 -1.4(2) . . . . ?
C21 C20 C25 C16 178.58(14) . . . . ?
C17 C16 C25 C24 -179.80(14) . . . . ?
C15 C16 C25 C24 -1.1(2) . . . . ?
C17 C16 C25 C20 0.3(2) . . . . ?
C15 C16 C25 C20 179.02(12) . . . . ?
C31 C26 C27 C28 2.2(2) . . . . ?
N2 C26 C27 C28 -176.51(12) . . . . ?
C26 C27 C28 C29 -0.8(2) . . . . ?
C27 C28 C29 O1 177.63(14) . . . . ?
C27 C28 C29 C30 -1.2(2) . . . . ?
O1 C29 C30 C31 -177.10(14) . . . . ?
C28 C29 C30 C31 1.9(2) . . . . ?
C29 C30 C31 C26 -0.5(2) . . . . ?
C27 C26 C31 C30 -1.6(2) . . . . ?
N2 C26 C31 C30 177.13(13) . . . . ?
N2 C15 N1 C1 -0.98(15) . . . . ?
C16 C15 N1 C1 175.20(13) . . . . ?
C14 C1 N1 C15 0.43(15) . . . . ?
C2 C1 N1 C15 -177.31(13) . . . . ?
N1 C15 N2 C14 1.15(15) . . . . ?
C16 C15 N2 C14 -175.22(11) . . . . ?
N1 C15 N2 C26 176.90(11) . . . . ?
C16 C15 N2 C26 0.5(2) . . . . ?
C1 C14 N2 C15 -0.80(14) . . . . ?
C13 C14 N2 C15 177.21(13) . . . . ?
C1 C14 N2 C26 -176.39(12) . . . . ?
C13 C14 N2 C26 1.6(2) . . . . ?
C27 C26 N2 C15 -98.37(16) . . . . ?
C31 C26 N2 C15 82.92(17) . . . . ?
C27 C26 N2 C14 76.45(17) . . . . ?
C31 C26 N2 C14 -102.27(17) . . . . ?
C28 C29 O1 C32 -0.2(2) . . . . ?
C30 C29 O1 C32 178.73(15) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        30.64
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.170
_refine_diff_density_min         -0.212
_refine_diff_density_rms         0.039
_database_code_depnum_ccdc_archive 'CCDC 972157'
