# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 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_NDI-DPTTA

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H22 S4, C26 H14 N2 O4, C6 H5 Cl '
_chemical_formula_sum            'C66 H41 Cl N2 O4 S4'
_chemical_formula_weight         1089.70

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   18.570(4)
_cell_length_b                   8.6164(17)
_cell_length_c                   33.009(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.42(3)
_cell_angle_gamma                90.00
_cell_volume                     5158.0(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    7261
_cell_measurement_theta_min      1.89
_cell_measurement_theta_max      27.48

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2256
_exptl_absorpt_coefficient_mu    0.292
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8727
_exptl_absorpt_correction_T_max  0.9799
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'MM007-HF CCD(Saturn 724+)'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            14417
_diffrn_reflns_av_R_equivalents  0.0685
_diffrn_reflns_av_sigmaI/netI    0.0661
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4513
_reflns_number_gt                3793
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'Olex2 Ver 1.1'
_computing_molecular_graphics    'Olex2 Ver 1.1'
_computing_publication_material  'SHELX97 (Sheldrick, 2008)'


_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)+(0.0293P)²+10.2049P] 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         4513
_refine_ls_number_parameters     359
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0733
_refine_ls_wR_factor_ref         0.1410
_refine_ls_wR_factor_gt          0.1326
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_restrained_S_all      1.190
_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
Cl1 Cl 0.5000 -0.2016(14) 0.2500 0.052(9) Uani 0.42(10) 2 d SPU A 1
Cl1' Cl 0.471(2) -0.1997(12) 0.2425(8) 0.061(4) Uani 0.29(5) 1 d PU . 2
S1 S 0.27785(5) 1.03528(11) 0.47431(3) 0.0401(3) Uani 1 1 d . . .
S2 S 0.28676(5) 1.16293(11) 0.56362(3) 0.0403(3) Uani 1 1 d . . .
O1 O 0.42629(13) 0.4562(3) 0.47265(7) 0.0382(6) Uani 1 1 d . . .
O2 O 0.47254(14) 0.1229(3) 0.37466(7) 0.0403(6) Uani 1 1 d . . .
N1 N 0.45513(14) 0.2926(3) 0.42439(8) 0.0293(6) Uani 1 1 d . . .
C1 C 0.24162(18) 1.0870(4) 0.38797(12) 0.0382(9) Uani 1 1 d . . .
C2 C 0.27391(18) 0.9929(4) 0.42173(12) 0.0391(9) Uani 1 1 d . . .
C3 C 0.30807(19) 0.8473(4) 0.41946(13) 0.0422(9) Uani 1 1 d . . .
H3 H 0.3124 0.8015 0.3939 0.051 Uiso 1 1 calc R . .
C4 C 0.33416(18) 0.7781(4) 0.45675(13) 0.0423(10) Uani 1 1 d . . .
H4 H 0.3582 0.6802 0.4592 0.051 Uiso 1 1 calc R . .
C5 C 0.32297(17) 0.8616(4) 0.49127(12) 0.0376(9) Uani 1 1 d . . .
C6 C 0.34530(17) 0.8060(4) 0.53228(13) 0.0404(9) Uani 1 1 d . . .
H6 H 0.3651 0.7042 0.5329 0.048 Uiso 1 1 calc R . .
C7 C 0.34617(18) 0.8596(4) 0.57178(13) 0.0413(9) Uani 1 1 d . . .
H7 H 0.3636 0.7831 0.5922 0.050 Uiso 1 1 calc R . .
C8 C 0.32780(18) 0.9986(4) 0.58948(12) 0.0391(9) Uani 1 1 d . . .
C9 C 0.3420(2) 1.0252(5) 0.63224(13) 0.0468(10) Uani 1 1 d . . .
H9 H 0.3641 0.9497 0.6520 0.056 Uiso 1 1 calc R . .
C10 C 0.32142(19) 1.1696(5) 0.64336(13) 0.0446(10) Uani 1 1 d . . .
H10 H 0.3289 1.2027 0.6714 0.054 Uiso 1 1 calc R . .
C11 C 0.28832(18) 1.2641(4) 0.60976(12) 0.0394(9) Uani 1 1 d . . .
C12 C 0.24113(19) 1.0230(4) 0.34578(12) 0.0408(9) Uani 1 1 d . . .
C13 C 0.2944(2) 1.0646(5) 0.32404(13) 0.0516(11) Uani 1 1 d . . .
H13 H 0.3315 1.1372 0.3359 0.062 Uiso 1 1 calc R . .
C14 C 0.2944(2) 1.0020(6) 0.28547(14) 0.0594(12) Uani 1 1 d . . .
H14 H 0.3309 1.0333 0.2709 0.071 Uiso 1 1 calc R . .
C15 C 0.2422(2) 0.8956(6) 0.26814(14) 0.0623(12) Uani 1 1 d . . .
H15 H 0.2425 0.8526 0.2417 0.075 Uiso 1 1 calc R . .
C16 C 0.1890(3) 0.8508(6) 0.28946(15) 0.0719(15) Uani 1 1 d . . .
H16 H 0.1530 0.7757 0.2778 0.086 Uiso 1 1 calc R . .
C17 C 0.1882(2) 0.9155(6) 0.32779(15) 0.0622(13) Uani 1 1 d . . .
H17 H 0.1510 0.8858 0.3420 0.075 Uiso 1 1 calc R . .
C18 C 0.44752(17) 0.3284(4) 0.46492(10) 0.0299(8) Uani 1 1 d . . .
C19 C 0.46812(16) 0.2054(4) 0.49643(10) 0.0260(7) Uani 1 1 d . . .
C20 C 0.48970(16) 0.0580(4) 0.48472(10) 0.0247(7) Uani 1 1 d . . .
C21 C 0.49058(16) 0.0234(4) 0.44297(10) 0.0277(7) Uani 1 1 d . . .
C22 C 0.47220(18) 0.1442(4) 0.41102(11) 0.0306(8) Uani 1 1 d . . .
C23 C 0.51171(18) -0.1216(4) 0.43237(10) 0.0318(8) Uani 1 1 d . . .
H23 H 0.5123 -0.1439 0.4043 0.038 Uiso 1 1 calc R . .
C24 C 0.46770(17) 0.2366(4) 0.53735(10) 0.0316(8) Uani 1 1 d . . .
H24 H 0.4534 0.3364 0.5450 0.038 Uiso 1 1 calc R . .
C25 C 0.44193(18) 0.4144(4) 0.39336(10) 0.0311(8) Uani 1 1 d . . .
C26 C 0.37072(19) 0.4574(4) 0.37549(11) 0.0387(9) Uani 1 1 d . . .
H26 H 0.3303 0.4108 0.3843 0.046 Uiso 1 1 calc R . .
C27 C 0.3586(2) 0.5686(5) 0.34467(12) 0.0466(10) Uani 1 1 d . . .
H27 H 0.3096 0.5975 0.3319 0.056 Uiso 1 1 calc R . .
C28 C 0.4174(2) 0.6382(5) 0.33226(11) 0.0460(10) Uani 1 1 d . . .
H28 H 0.4089 0.7149 0.3111 0.055 Uiso 1 1 calc R . .
C29 C 0.4888(2) 0.5955(4) 0.35084(11) 0.0406(9) Uani 1 1 d . . .
H29 H 0.5294 0.6435 0.3425 0.049 Uiso 1 1 calc R . .
C30 C 0.50099(19) 0.4838(4) 0.38134(10) 0.0342(8) Uani 1 1 d . . .
H30 H 0.5499 0.4544 0.3941 0.041 Uiso 1 1 calc R . .
C31 C 0.5000 0.3156(8) 0.2500 0.0590(17) Uani 1 2 d S . .
H31 H 0.5000 0.4259 0.2500 0.071 Uiso 1 2 calc SR . .
C32 C 0.4900(2) 0.2360(5) 0.28481(12) 0.0500(11) Uani 1 1 d . . .
H32 H 0.4832 0.2914 0.3086 0.060 Uiso 1 1 calc R . .
C33 C 0.4900(2) 0.0774(5) 0.28488(11) 0.0459(10) Uani 1 1 d . A .
H33 H 0.4833 0.0213 0.3086 0.055 Uiso 1 1 calc R . .
C34 C 0.5000 0.0007(7) 0.2500 0.0494(15) Uani 1 2 d S . .


_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
Cl1 C34 1.743(14) . ?
Cl1' Cl1' 1.09(8) 2_655 ?
Cl1' C34 1.811(14) . ?
S1 C5 1.747(4) . ?
S1 C2 1.760(4) . ?
S2 C8 1.742(4) . ?
S2 C11 1.750(4) . ?
O1 C18 1.215(4) . ?
O2 C22 1.216(4) . ?
N1 C18 1.409(4) . ?
N1 C22 1.411(4) . ?
N1 C25 1.450(4) . ?
C1 C2 1.405(5) . ?
C1 C11 1.406(5) 7_576 ?
C1 C12 1.496(5) . ?
C2 C3 1.415(5) . ?
C3 C4 1.360(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.400(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.412(5) . ?
C6 C7 1.380(5) . ?
C6 H6 0.9500 . ?
C7 C8 1.406(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.398(5) . ?
C9 C10 1.374(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.406(5) . ?
C10 H10 0.9500 . ?
C11 C1 1.406(5) 7_576 ?
C12 C17 1.387(6) . ?
C12 C13 1.388(5) . ?
C13 C14 1.383(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.367(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(6) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.476(5) . ?
C19 C24 1.379(4) . ?
C19 C20 1.410(4) . ?
C20 C21 1.414(4) . ?
C20 C20 1.414(6) 5_656 ?
C21 C23 1.377(4) . ?
C21 C22 1.469(5) . ?
C23 C24 1.401(5) 5_656 ?
C23 H23 0.9500 . ?
C24 C23 1.401(5) 5_656 ?
C24 H24 0.9500 . ?
C25 C26 1.378(5) . ?
C25 C30 1.380(4) . ?
C26 C27 1.381(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.383(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.386(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.376(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.385(5) 2_655 ?
C31 C32 1.385(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.366(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.374(4) . ?
C33 H33 0.9500 . ?
C34 C33 1.374(4) 2_655 ?
C34 Cl1' 1.811(14) 2_655 ?

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
Cl1' Cl1' C34 72.5(12) 2_655 . ?
C5 S1 C2 93.07(18) . . ?
C8 S2 C11 93.14(19) . . ?
C18 N1 C22 124.8(3) . . ?
C18 N1 C25 118.4(3) . . ?
C22 N1 C25 116.8(3) . . ?
C2 C1 C11 126.2(4) . 7_576 ?
C2 C1 C12 116.2(3) . . ?
C11 C1 C12 117.5(3) 7_576 . ?
C1 C2 C3 126.1(4) . . ?
C1 C2 S1 125.6(3) . . ?
C3 C2 S1 108.2(3) . . ?
C4 C3 C2 114.6(4) . . ?
C4 C3 H3 122.7 . . ?
C2 C3 H3 122.7 . . ?
C3 C4 C5 115.2(3) . . ?
C3 C4 H4 122.4 . . ?
C5 C4 H4 122.4 . . ?
C4 C5 C6 122.8(3) . . ?
C4 C5 S1 108.9(3) . . ?
C6 C5 S1 128.3(3) . . ?
C7 C6 C5 137.2(4) . . ?
C7 C6 H6 111.4 . . ?
C5 C6 H6 111.4 . . ?
C6 C7 C8 136.3(4) . . ?
C6 C7 H7 111.8 . . ?
C8 C7 H7 111.8 . . ?
C9 C8 C7 123.3(4) . . ?
C9 C8 S2 109.2(3) . . ?
C7 C8 S2 127.5(3) . . ?
C10 C9 C8 114.5(4) . . ?
C10 C9 H9 122.7 . . ?
C8 C9 H9 122.7 . . ?
C9 C10 C11 114.4(4) . . ?
C9 C10 H10 122.8 . . ?
C11 C10 H10 122.8 . . ?
C10 C11 C1 126.6(4) . 7_576 ?
C10 C11 S2 108.7(3) . . ?
C1 C11 S2 124.6(3) 7_576 . ?
C17 C12 C13 117.9(4) . . ?
C17 C12 C1 120.5(3) . . ?
C13 C12 C1 121.6(3) . . ?
C14 C13 C12 121.1(4) . . ?
C14 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
C15 C14 C13 120.4(4) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 119.5(4) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 120.0(4) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C17 C12 121.0(4) . . ?
C16 C17 H17 119.5 . . ?
C12 C17 H17 119.5 . . ?
O1 C18 N1 120.1(3) . . ?
O1 C18 C19 123.3(3) . . ?
N1 C18 C19 116.6(3) . . ?
C24 C19 C20 120.4(3) . . ?
C24 C19 C18 119.7(3) . . ?
C20 C19 C18 119.9(3) . . ?
C19 C20 C21 121.4(3) . . ?
C19 C20 C20 119.4(3) . 5_656 ?
C21 C20 C20 119.2(4) . 5_656 ?
C23 C21 C20 120.2(3) . . ?
C23 C21 C22 119.7(3) . . ?
C20 C21 C22 120.0(3) . . ?
O2 C22 N1 119.7(3) . . ?
O2 C22 C21 123.5(3) . . ?
N1 C22 C21 116.8(3) . . ?
C21 C23 C24 120.6(3) . 5_656 ?
C21 C23 H23 119.7 . . ?
C24 C23 H23 119.7 5_656 . ?
C19 C24 C23 120.2(3) . 5_656 ?
C19 C24 H24 119.9 . . ?
C23 C24 H24 119.9 5_656 . ?
C26 C25 C30 120.6(3) . . ?
C26 C25 N1 119.9(3) . . ?
C30 C25 N1 119.5(3) . . ?
C25 C26 C27 119.5(3) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
C26 C27 C28 120.3(4) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C29 119.7(4) . . ?
C27 C28 H28 120.1 . . ?
C29 C28 H28 120.1 . . ?
C30 C29 C28 120.0(3) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 119.8(3) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?
C32 C31 C32 120.6(6) 2_655 . ?
C32 C31 H31 119.7 2_655 . ?
C32 C31 H31 119.7 . . ?
C33 C32 C31 119.8(4) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C32 C33 C34 118.7(4) . . ?
C32 C33 H33 120.7 . . ?
C34 C33 H33 120.7 . . ?
C33 C34 C33 122.5(6) . 2_655 ?
C33 C34 Cl1 118.7(3) . . ?
C33 C34 Cl1 118.7(3) 2_655 . ?
C33 C34 Cl1' 118.9(8) . . ?
C33 C34 Cl1' 115.7(8) 2_655 . ?
Cl1 C34 Cl1' 17.5(12) . . ?
C33 C34 Cl1' 115.7(8) . 2_655 ?
C33 C34 Cl1' 118.9(8) 2_655 2_655 ?
Cl1 C34 Cl1' 17.5(12) . 2_655 ?
Cl1' C34 Cl1' 35(2) . 2_655 ?

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
C11 C1 C2 C3 -175.8(3) 7_576 . . . ?
C12 C1 C2 C3 2.5(5) . . . . ?
C11 C1 C2 S1 4.9(5) 7_576 . . . ?
C12 C1 C2 S1 -176.7(3) . . . . ?
C5 S1 C2 C1 178.9(3) . . . . ?
C5 S1 C2 C3 -0.5(3) . . . . ?
C1 C2 C3 C4 -179.0(3) . . . . ?
S1 C2 C3 C4 0.3(4) . . . . ?
C2 C3 C4 C5 0.1(5) . . . . ?
C3 C4 C5 C6 178.8(3) . . . . ?
C3 C4 C5 S1 -0.5(4) . . . . ?
C2 S1 C5 C4 0.5(3) . . . . ?
C2 S1 C5 C6 -178.7(3) . . . . ?
C4 C5 C6 C7 175.9(4) . . . . ?
S1 C5 C6 C7 -4.9(6) . . . . ?
C5 C6 C7 C8 -3.4(7) . . . . ?
C6 C7 C8 C9 -173.0(4) . . . . ?
C6 C7 C8 S2 5.7(6) . . . . ?
C11 S2 C8 C9 -0.4(3) . . . . ?
C11 S2 C8 C7 -179.3(3) . . . . ?
C7 C8 C9 C10 178.6(3) . . . . ?
S2 C8 C9 C10 -0.3(4) . . . . ?
C8 C9 C10 C11 1.2(5) . . . . ?
C9 C10 C11 C1 176.2(3) . . . 7_576 ?
C9 C10 C11 S2 -1.4(4) . . . . ?
C8 S2 C11 C10 1.0(3) . . . . ?
C8 S2 C11 C1 -176.7(3) . . . 7_576 ?
C2 C1 C12 C17 80.5(5) . . . . ?
C11 C1 C12 C17 -101.0(5) 7_576 . . . ?
C2 C1 C12 C13 -97.4(4) . . . . ?
C11 C1 C12 C13 81.1(5) 7_576 . . . ?
C17 C12 C13 C14 0.6(6) . . . . ?
C1 C12 C13 C14 178.5(4) . . . . ?
C12 C13 C14 C15 -1.0(7) . . . . ?
C13 C14 C15 C16 0.2(7) . . . . ?
C14 C15 C16 C17 0.9(8) . . . . ?
C15 C16 C17 C12 -1.3(8) . . . . ?
C13 C12 C17 C16 0.5(7) . . . . ?
C1 C12 C17 C16 -177.4(4) . . . . ?
C22 N1 C18 O1 -173.4(3) . . . . ?
C25 N1 C18 O1 4.1(4) . . . . ?
C22 N1 C18 C19 8.0(4) . . . . ?
C25 N1 C18 C19 -174.5(3) . . . . ?
O1 C18 C19 C24 -3.8(5) . . . . ?
N1 C18 C19 C24 174.8(3) . . . . ?
O1 C18 C19 C20 177.7(3) . . . . ?
N1 C18 C19 C20 -3.8(4) . . . . ?
C24 C19 C20 C21 -180.0(3) . . . . ?
C18 C19 C20 C21 -1.4(4) . . . . ?
C24 C19 C20 C20 0.6(5) . . . 5_656 ?
C18 C19 C20 C20 179.1(3) . . . 5_656 ?
C19 C20 C21 C23 -179.8(3) . . . . ?
C20 C20 C21 C23 -0.4(5) 5_656 . . . ?
C19 C20 C21 C22 3.0(4) . . . . ?
C20 C20 C21 C22 -177.6(3) 5_656 . . . ?
C18 N1 C22 O2 174.9(3) . . . . ?
C25 N1 C22 O2 -2.6(4) . . . . ?
C18 N1 C22 C21 -6.5(4) . . . . ?
C25 N1 C22 C21 175.9(3) . . . . ?
C23 C21 C22 O2 2.1(5) . . . . ?
C20 C21 C22 O2 179.3(3) . . . . ?
C23 C21 C22 N1 -176.4(3) . . . . ?
C20 C21 C22 N1 0.8(4) . . . . ?
C20 C21 C23 C24 0.2(5) . . . 5_656 ?
C22 C21 C23 C24 177.5(3) . . . 5_656 ?
C20 C19 C24 C23 -0.4(5) . . . 5_656 ?
C18 C19 C24 C23 -179.0(3) . . . 5_656 ?
C18 N1 C25 C26 -76.9(4) . . . . ?
C22 N1 C25 C26 100.8(4) . . . . ?
C18 N1 C25 C30 104.5(4) . . . . ?
C22 N1 C25 C30 -77.7(4) . . . . ?
C30 C25 C26 C27 1.4(6) . . . . ?
N1 C25 C26 C27 -177.2(3) . . . . ?
C25 C26 C27 C28 -1.0(6) . . . . ?
C26 C27 C28 C29 0.1(6) . . . . ?
C27 C28 C29 C30 0.4(6) . . . . ?
C28 C29 C30 C25 0.0(5) . . . . ?
C26 C25 C30 C29 -0.9(5) . . . . ?
N1 C25 C30 C29 177.7(3) . . . . ?
C32 C31 C32 C33 0.0(3) 2_655 . . . ?
C31 C32 C33 C34 -0.1(5) . . . . ?
C32 C33 C34 C33 0.0(3) . . . 2_655 ?
C32 C33 C34 Cl1 -180.0(3) . . . . ?
C32 C33 C34 Cl1' -159.9(14) . . . . ?
C32 C33 C34 Cl1' 160.6(14) . . . 2_655 ?
Cl1' Cl1' C34 C33 -94(2) 2_655 . . . ?
Cl1' Cl1' C34 C33 104(2) 2_655 . . 2_655 ?
Cl1' Cl1' C34 Cl1 0.000(5) 2_655 . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.246
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.057
_database_code_depnum_ccdc_archive 'CCDC 1021623'
