# 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 2019

####################################################################### 
# 
# 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_p-1
_database_code_depnum_ccdc_archive 'CCDC 1884337'
loop_
_audit_author_name
_audit_author_address
'Hadi Amiri Roudbari'
;Department of Chemistry, Isfahan University of Technology
Iran
;
_audit_update_record             
;
2018-12-11 deposited with the CCDC.	2019-07-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'Naphtaldehyde disulfide Schiff base'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         C34H24N2S2
_chemical_formula_sum            'C34 H24 N2 S2'
_chemical_formula_weight         524.67

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.8343(16)
_cell_length_b                   12.119(2)
_cell_length_c                   14.315(3)
_cell_angle_alpha                85.66(3)
_cell_angle_beta                 78.01(3)
_cell_angle_gamma                79.57(3)
_cell_volume                     1306.5(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    15587
_cell_measurement_theta_min      2.7
_cell_measurement_theta_max      29.4

_exptl_crystal_description       irregular
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             548
_exptl_absorpt_coefficient_mu    0.231
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      298(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  'Stoe IPDS-II'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10372
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0805
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.70
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4500
_reflns_number_gt                2714
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2005)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_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 > 2σ(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)+(0.0453P)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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4500
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0397
_refine_ls_wR_factor_ref         0.0923
_refine_ls_wR_factor_gt          0.0865
_refine_ls_goodness_of_fit_ref   0.812
_refine_ls_restrained_S_all      0.812
_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
S1 S 0.86741(8) 0.84745(6) 0.19406(4) 0.05243(19) Uani 1 1 d . . .
S2 S 0.71303(8) 0.98200(6) 0.26292(5) 0.0556(2) Uani 1 1 d . . .
N1 N 1.1225(2) 0.73023(15) 0.05158(13) 0.0470(5) Uani 1 1 d . . .
N2 N 0.4448(2) 1.10258(16) 0.39528(13) 0.0488(5) Uani 1 1 d . . .
C7 C 1.7122(4) 0.5007(2) 0.1194(2) 0.0638(8) Uani 1 1 d . . .
H7 H 1.8077 0.4527 0.1374 0.077 Uiso 1 1 calc R . .
C29 C 0.6282(4) 1.3613(2) 0.54075(18) 0.0609(7) Uani 1 1 d . . .
C10 C 1.4254(3) 0.64539(19) 0.06368(16) 0.0453(6) Uani 1 1 d . . .
C11 C 1.2897(3) 0.72582(19) 0.02701(16) 0.0465(6) Uani 1 1 d . . .
H11 H 1.3291 0.7791 -0.0188 0.056 Uiso 1 1 calc R . .
C6 C 1.5396(3) 0.4767(2) 0.15201(17) 0.0501(6) Uani 1 1 d . . .
C12 C 1.0061(3) 0.81269(18) 0.00859(16) 0.0419(5) Uani 1 1 d . . .
C9 C 1.5960(3) 0.6644(2) 0.03428(18) 0.0551(7) Uani 1 1 d . . .
H9 H 1.6168 0.7268 -0.0056 0.066 Uiso 1 1 calc R . .
C8 C 1.7409(3) 0.5927(2) 0.0624(2) 0.0656(8) Uani 1 1 d . . .
H8 H 1.8550 0.6083 0.0420 0.079 Uiso 1 1 calc R . .
C16 C 0.7453(3) 0.95493(19) 0.03333(18) 0.0487(6) Uani 1 1 d . . .
H16 H 0.6545 0.9982 0.0744 0.058 Uiso 1 1 calc R . .
C18 C 0.4963(3) 0.94709(19) 0.29421(15) 0.0422(6) Uani 1 1 d . . .
C32 C 0.8914(4) 1.2618(2) 0.3961(2) 0.0663(8) Uani 1 1 d . . .
H32 H 0.9800 1.2289 0.3476 0.080 Uiso 1 1 calc R . .
C13 C 1.0147(3) 0.8278(2) -0.08862(17) 0.0557(7) Uani 1 1 d . . .
H13 H 1.1052 0.7850 -0.1302 0.067 Uiso 1 1 calc R . .
C17 C 0.8676(3) 0.87703(18) 0.07050(15) 0.0408(5) Uani 1 1 d . . .
C1 C 1.3918(3) 0.54964(19) 0.12593(16) 0.0477(6) Uani 1 1 d . . .
C19 C 0.4435(3) 0.8592(2) 0.25740(16) 0.0488(6) Uani 1 1 d . . .
H19 H 0.5238 0.8139 0.2129 0.059 Uiso 1 1 calc R . .
C22 C 0.2055(3) 0.9926(2) 0.39020(17) 0.0514(6) Uani 1 1 d . . .
H22 H 0.1242 1.0372 0.4348 0.062 Uiso 1 1 calc R . .
C25 C 0.4212(3) 1.2429(2) 0.51285(16) 0.0499(6) Uani 1 1 d . . .
C23 C 0.3768(3) 1.01518(19) 0.36246(15) 0.0418(5) Uani 1 1 d . . .
C15 C 0.7564(3) 0.9694(2) -0.06378(19) 0.0560(7) Uani 1 1 d . . .
H15 H 0.6732 1.0221 -0.0882 0.067 Uiso 1 1 calc R . .
C34 C 0.5921(3) 1.27597(19) 0.48791(16) 0.0489(6) Uani 1 1 d . . .
C33 C 0.7310(3) 1.2281(2) 0.41404(18) 0.0543(6) Uani 1 1 d . . .
H33 H 0.7117 1.1730 0.3775 0.065 Uiso 1 1 calc R . .
C2 C 1.2213(3) 0.5227(2) 0.16211(18) 0.0609(7) Uani 1 1 d . . .
H2 H 1.1222 0.5705 0.1479 0.073 Uiso 1 1 calc R . .
C26 C 0.2969(4) 1.2960(2) 0.58558(17) 0.0630(7) Uani 1 1 d . . .
H26 H 0.1863 1.2743 0.6021 0.076 Uiso 1 1 calc R . .
C24 C 0.3664(3) 1.1522(2) 0.46979(16) 0.0524(6) Uani 1 1 d . . .
H24 H 0.2617 1.1291 0.5014 0.063 Uiso 1 1 calc R . .
C3 C 1.2008(4) 0.4289(3) 0.2169(2) 0.0787(9) Uani 1 1 d . . .
H3 H 1.0874 0.4127 0.2394 0.094 Uiso 1 1 calc R . .
C20 C 0.2725(3) 0.8384(2) 0.28635(17) 0.0527(6) Uani 1 1 d . . .
H20 H 0.2376 0.7796 0.2612 0.063 Uiso 1 1 calc R . .
C21 C 0.1538(3) 0.9052(2) 0.35270(18) 0.0549(7) Uani 1 1 d . . .
H21 H 0.0385 0.8913 0.3723 0.066 Uiso 1 1 calc R . .
C14 C 0.8911(4) 0.9054(2) -0.12505(18) 0.0607(7) Uani 1 1 d . . .
H14 H 0.8984 0.9146 -0.1908 0.073 Uiso 1 1 calc R . .
C5 C 1.5102(4) 0.3791(2) 0.21000(19) 0.0667(8) Uani 1 1 d . . .
H5 H 1.6062 0.3309 0.2272 0.080 Uiso 1 1 calc R . .
C27 C 0.3323(5) 1.3816(2) 0.6352(2) 0.0763(9) Uani 1 1 d . . .
H27 H 0.2448 1.4170 0.6830 0.092 Uiso 1 1 calc R . .
C28 C 0.4936(5) 1.4131(2) 0.6139(2) 0.0778(9) Uani 1 1 d . . .
H28 H 0.5164 1.4695 0.6479 0.093 Uiso 1 1 calc R . .
C30 C 0.7979(5) 1.3929(3) 0.5194(2) 0.0791(9) Uani 1 1 d . . .
H30 H 0.8216 1.4478 0.5545 0.095 Uiso 1 1 calc R . .
C31 C 0.9262(4) 1.3445(3) 0.4489(2) 0.0757(9) Uani 1 1 d . . .
H31 H 1.0370 1.3662 0.4356 0.091 Uiso 1 1 calc R . .
C4 C 1.3465(5) 0.3549(3) 0.2406(2) 0.0798(9) Uani 1 1 d . . .
H4 H 1.3299 0.2896 0.2773 0.096 Uiso 1 1 calc R . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
S1 C17 1.778(2) . ?
S1 S2 2.0317(11) . ?
S2 C18 1.783(2) . ?
N1 C11 1.276(3) . ?
N1 C12 1.421(3) . ?
N2 C24 1.252(3) . ?
N2 C23 1.418(3) . ?
C7 C8 1.355(4) . ?
C7 C6 1.410(4) . ?
C7 H7 0.9300 . ?
C29 C28 1.415(4) . ?
C29 C30 1.416(4) . ?
C29 C34 1.426(3) . ?
C10 C9 1.371(3) . ?
C10 C1 1.438(3) . ?
C10 C11 1.461(3) . ?
C11 H11 0.9300 . ?
C6 C5 1.418(4) . ?
C6 C1 1.422(3) . ?
C12 C13 1.379(3) . ?
C12 C17 1.403(3) . ?
C9 C8 1.409(4) . ?
C9 H9 0.9300 . ?
C8 H8 0.9300 . ?
C16 C15 1.374(3) . ?
C16 C17 1.378(3) . ?
C16 H16 0.9300 . ?
C18 C19 1.385(3) . ?
C18 C23 1.405(3) . ?
C32 C33 1.359(4) . ?
C32 C31 1.397(4) . ?
C32 H32 0.9300 . ?
C13 C14 1.378(4) . ?
C13 H13 0.9300 . ?
C1 C2 1.415(3) . ?
C19 C20 1.380(3) . ?
C19 H19 0.9300 . ?
C22 C21 1.381(3) . ?
C22 C23 1.389(3) . ?
C22 H22 0.9300 . ?
C25 C26 1.378(3) . ?
C25 C34 1.434(3) . ?
C25 C24 1.468(3) . ?
C15 C14 1.381(3) . ?
C15 H15 0.9300 . ?
C34 C33 1.423(3) . ?
C33 H33 0.9300 . ?
C2 C3 1.346(4) . ?
C2 H2 0.9300 . ?
C26 C27 1.398(4) . ?
C26 H26 0.9300 . ?
C24 H24 0.9300 . ?
C3 C4 1.402(4) . ?
C3 H3 0.9300 . ?
C20 C21 1.378(3) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C14 H14 0.9300 . ?
C5 C4 1.344(4) . ?
C5 H5 0.9300 . ?
C27 C28 1.354(4) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
C30 C31 1.351(4) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
C4 H4 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
C17 S1 S2 105.84(8) . . ?
C18 S2 S1 105.37(8) . . ?
C11 N1 C12 120.2(2) . . ?
C24 N2 C23 121.1(2) . . ?
C8 C7 C6 121.1(3) . . ?
C8 C7 H7 119.5 . . ?
C6 C7 H7 119.5 . . ?
C28 C29 C30 121.0(3) . . ?
C28 C29 C34 119.4(3) . . ?
C30 C29 C34 119.6(3) . . ?
C9 C10 C1 119.3(2) . . ?
C9 C10 C11 116.0(2) . . ?
C1 C10 C11 124.8(2) . . ?
N1 C11 C10 126.4(2) . . ?
N1 C11 H11 116.8 . . ?
C10 C11 H11 116.8 . . ?
C7 C6 C5 121.0(3) . . ?
C7 C6 C1 120.3(3) . . ?
C5 C6 C1 118.7(2) . . ?
C13 C12 C17 118.9(2) . . ?
C13 C12 N1 124.17(19) . . ?
C17 C12 N1 116.8(2) . . ?
C10 C9 C8 122.3(3) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C7 C8 C9 119.3(3) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 H8 120.4 . . ?
C15 C16 C17 120.7(2) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C19 C18 C23 120.3(2) . . ?
C19 C18 S2 124.65(16) . . ?
C23 C18 S2 115.05(17) . . ?
C33 C32 C31 121.5(3) . . ?
C33 C32 H32 119.2 . . ?
C31 C32 H32 119.2 . . ?
C14 C13 C12 121.0(2) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C16 C17 C12 119.7(2) . . ?
C16 C17 S1 125.63(17) . . ?
C12 C17 S1 114.67(17) . . ?
C2 C1 C6 117.9(2) . . ?
C2 C1 C10 124.3(2) . . ?
C6 C1 C10 117.8(2) . . ?
C20 C19 C18 120.4(2) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C22 C23 121.2(2) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C26 C25 C34 118.9(2) . . ?
C26 C25 C24 115.5(2) . . ?
C34 C25 C24 125.5(2) . . ?
C22 C23 C18 118.1(2) . . ?
C22 C23 N2 126.32(19) . . ?
C18 C23 N2 115.56(19) . . ?
C16 C15 C14 119.9(2) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C33 C34 C29 117.1(2) . . ?
C33 C34 C25 124.3(2) . . ?
C29 C34 C25 118.6(2) . . ?
C32 C33 C34 121.0(2) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 H33 119.5 . . ?
C3 C2 C1 120.9(3) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C25 C26 C27 121.9(3) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
N2 C24 C25 127.3(2) . . ?
N2 C24 H24 116.4 . . ?
C25 C24 H24 116.4 . . ?
C2 C3 C4 121.4(3) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C21 C20 C19 119.8(2) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C20 C21 C22 120.2(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C13 C14 C15 119.9(2) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C4 C5 C6 121.4(3) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C28 C29 120.9(3) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C31 C30 C29 121.2(3) . . ?
C31 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
C30 C31 C32 119.6(3) . . ?
C30 C31 H31 120.2 . . ?
C32 C31 H31 120.2 . . ?
C5 C4 C3 119.5(3) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?

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
C17 S1 S2 C18 92.62(12) . . . . ?
C12 N1 C11 C10 -179.15(19) . . . . ?
C9 C10 C11 N1 -173.2(2) . . . . ?
C1 C10 C11 N1 7.6(3) . . . . ?
C8 C7 C6 C5 178.6(2) . . . . ?
C8 C7 C6 C1 -0.5(4) . . . . ?
C11 N1 C12 C13 54.9(3) . . . . ?
C11 N1 C12 C17 -129.4(2) . . . . ?
C1 C10 C9 C8 0.5(3) . . . . ?
C11 C10 C9 C8 -178.8(2) . . . . ?
C6 C7 C8 C9 -0.9(4) . . . . ?
C10 C9 C8 C7 0.9(4) . . . . ?
S1 S2 C18 C19 -13.9(2) . . . . ?
S1 S2 C18 C23 165.00(16) . . . . ?
C17 C12 C13 C14 0.7(4) . . . . ?
N1 C12 C13 C14 176.4(2) . . . . ?
C15 C16 C17 C12 0.8(3) . . . . ?
C15 C16 C17 S1 -178.72(19) . . . . ?
C13 C12 C17 C16 -1.1(3) . . . . ?
N1 C12 C17 C16 -177.1(2) . . . . ?
C13 C12 C17 S1 178.44(18) . . . . ?
N1 C12 C17 S1 2.5(3) . . . . ?
S2 S1 C17 C16 -18.9(2) . . . . ?
S2 S1 C17 C12 161.54(15) . . . . ?
C7 C6 C1 C2 -178.8(2) . . . . ?
C5 C6 C1 C2 2.1(3) . . . . ?
C7 C6 C1 C10 1.8(3) . . . . ?
C5 C6 C1 C10 -177.3(2) . . . . ?
C9 C10 C1 C2 178.9(2) . . . . ?
C11 C10 C1 C2 -1.9(3) . . . . ?
C9 C10 C1 C6 -1.8(3) . . . . ?
C11 C10 C1 C6 177.39(19) . . . . ?
C23 C18 C19 C20 0.8(4) . . . . ?
S2 C18 C19 C20 179.74(19) . . . . ?
C21 C22 C23 C18 0.6(4) . . . . ?
C21 C22 C23 N2 179.6(2) . . . . ?
C19 C18 C23 C22 -1.0(3) . . . . ?
S2 C18 C23 C22 -179.97(19) . . . . ?
C19 C18 C23 N2 180.0(2) . . . . ?
S2 C18 C23 N2 1.0(3) . . . . ?
C24 N2 C23 C22 17.0(4) . . . . ?
C24 N2 C23 C18 -164.0(2) . . . . ?
C17 C16 C15 C14 0.0(4) . . . . ?
C28 C29 C34 C33 178.9(2) . . . . ?
C30 C29 C34 C33 -1.2(4) . . . . ?
C28 C29 C34 C25 -1.8(4) . . . . ?
C30 C29 C34 C25 178.0(2) . . . . ?
C26 C25 C34 C33 -179.6(2) . . . . ?
C24 C25 C34 C33 3.0(4) . . . . ?
C26 C25 C34 C29 1.2(4) . . . . ?
C24 C25 C34 C29 -176.1(2) . . . . ?
C31 C32 C33 C34 -0.3(4) . . . . ?
C29 C34 C33 C32 0.9(4) . . . . ?
C25 C34 C33 C32 -178.2(3) . . . . ?
C6 C1 C2 C3 -2.2(4) . . . . ?
C10 C1 C2 C3 177.1(3) . . . . ?
C34 C25 C26 C27 0.4(4) . . . . ?
C24 C25 C26 C27 178.0(2) . . . . ?
C23 N2 C24 C25 179.3(2) . . . . ?
C26 C25 C24 N2 169.4(3) . . . . ?
C34 C25 C24 N2 -13.1(4) . . . . ?
C1 C2 C3 C4 0.5(5) . . . . ?
C18 C19 C20 C21 -0.3(4) . . . . ?
C19 C20 C21 C22 0.0(4) . . . . ?
C23 C22 C21 C20 -0.1(4) . . . . ?
C12 C13 C14 C15 0.1(4) . . . . ?
C16 C15 C14 C13 -0.4(4) . . . . ?
C7 C6 C5 C4 -179.3(3) . . . . ?
C1 C6 C5 C4 -0.2(4) . . . . ?
C25 C26 C27 C28 -1.5(5) . . . . ?
C26 C27 C28 C29 0.8(5) . . . . ?
C30 C29 C28 C27 -179.0(3) . . . . ?
C34 C29 C28 C27 0.9(5) . . . . ?
C28 C29 C30 C31 -179.3(3) . . . . ?
C34 C29 C30 C31 0.8(5) . . . . ?
C29 C30 C31 C32 -0.1(5) . . . . ?
C33 C32 C31 C30 -0.2(5) . . . . ?
C6 C5 C4 C3 -1.6(4) . . . . ?
C2 C3 C4 C5 1.5(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.976
_refine_diff_density_max         0.161
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.040
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Ethyl Acetate'
_chemical_properties_physical    Efflorescent
