# Electronic Supplementary Material (ESI) for ChemComm.
# 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_lbs305a_0m
_database_code_depnum_ccdc_archive 'CCDC 1415422'
_audit_update_record             
;
2015-11-04 deposited with the CCDC.
2015-11-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
"5'-(tert-butyl) 3'-methyl 5,8'-dichloro-1-tosylspiro[indoline-3,4'-pyrrolo[3',4':3,4]cyclopenta[1,2-b]indole]-3',5'(2'H)-dicarboxylate"
_chemical_name_common            ?
_chemical_melting_point          198-200
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H29 Cl2 N3 O6 S'
_chemical_formula_weight         678.56

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           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   9.468(5)
_cell_length_b                   12.672(5)
_cell_length_c                   14.441(5)
_cell_angle_alpha                73.289(5)
_cell_angle_beta                 72.517(5)
_cell_angle_gamma                76.408(5)
_cell_volume                     1561.7(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    372(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             704
_exptl_absorpt_coefficient_mu    0.327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8970
_exptl_absorpt_correction_T_max  0.9681
_exptl_absorpt_process_details   'SADABS-2012/1 (Bruker,2012)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      372(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 SMART APEX II CCD'
_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            33016
_diffrn_reflns_av_R_equivalents  0.0820
_diffrn_reflns_av_sigmaI/netI    0.0772
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         27.83
_reflns_number_total             7370
_reflns_number_gt                5021
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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 > 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)+(0.0681P)²+0.2425P] 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         7370
_refine_ls_number_parameters     420
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0506
_refine_ls_wR_factor_ref         0.1329
_refine_ls_wR_factor_gt          0.1183
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.003
_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 0.6057(4) 0.2590(3) -0.0719(2) 0.0394(8) Uani 1 1 d . . .
H1A H 0.6405 0.2638 -0.1424 0.059 Uiso 1 1 calc R . .
H1B H 0.5341 0.3243 -0.0601 0.059 Uiso 1 1 calc R . .
H1C H 0.5590 0.1938 -0.0398 0.059 Uiso 1 1 calc R . .
C2 C 0.7371(3) 0.2513(2) -0.0299(2) 0.0266(6) Uani 1 1 d . . .
C3 C 0.7410(3) 0.3306(2) 0.0178(2) 0.0263(6) Uani 1 1 d . . .
H3 H 0.6617 0.3896 0.0240 0.032 Uiso 1 1 calc R . .
C4 C 0.8624(3) 0.3231(2) 0.05685(19) 0.0240(6) Uani 1 1 d . . .
H4 H 0.8639 0.3766 0.0890 0.029 Uiso 1 1 calc R . .
C5 C 0.9796(3) 0.2359(2) 0.04712(19) 0.0206(5) Uani 1 1 d . . .
C6 C 0.9774(4) 0.1556(2) -0.0013(2) 0.0329(7) Uani 1 1 d . . .
H6 H 1.0569 0.0968 -0.0081 0.039 Uiso 1 1 calc R . .
C7 C 0.8559(4) 0.1641(3) -0.0389(2) 0.0349(7) Uani 1 1 d . . .
H7 H 0.8540 0.1104 -0.0708 0.042 Uiso 1 1 calc R . .
C8 C 1.0525(3) 0.3544(2) 0.22846(19) 0.0171(5) Uani 1 1 d . . .
C9 C 1.0646(3) 0.4608(2) 0.1680(2) 0.0225(6) Uani 1 1 d . . .
H9 H 1.0951 0.4722 0.0989 0.027 Uiso 1 1 calc R . .
C10 C 1.0301(3) 0.5495(2) 0.2135(2) 0.0220(6) Uani 1 1 d . . .
H10 H 1.0353 0.6217 0.1746 0.026 Uiso 1 1 calc R . .
C11 C 0.9879(3) 0.5308(2) 0.3165(2) 0.0190(5) Uani 1 1 d . . .
C12 C 0.9754(3) 0.4247(2) 0.37734(19) 0.0178(5) Uani 1 1 d . . .
H12 H 0.9464 0.4131 0.4465 0.021 Uiso 1 1 calc R . .
C13 C 1.0076(3) 0.3365(2) 0.33130(18) 0.0153(5) Uani 1 1 d . . .
C14 C 0.9929(3) 0.2144(2) 0.38075(18) 0.0146(5) Uani 1 1 d . . .
C15 C 1.0221(3) 0.1637(2) 0.28888(18) 0.0164(5) Uani 1 1 d . . .
H15A H 1.0972 0.0968 0.2929 0.020 Uiso 1 1 calc R . .
H15B H 0.9304 0.1450 0.2854 0.020 Uiso 1 1 calc R . .
C16 C 0.8445(3) 0.19943(19) 0.45766(18) 0.0151(5) Uani 1 1 d . . .
C17 C 0.8543(3) 0.1495(2) 0.55314(18) 0.0154(5) Uani 1 1 d . . .
C18 C 0.7051(3) 0.1504(2) 0.61724(18) 0.0159(5) Uani 1 1 d . . .
C19 C 0.6456(3) 0.1089(2) 0.71888(19) 0.0178(5) Uani 1 1 d . . .
H19 H 0.7077 0.0716 0.7613 0.021 Uiso 1 1 calc R . .
C20 C 0.4906(3) 0.1251(2) 0.75452(19) 0.0190(5) Uani 1 1 d . . .
C21 C 0.3950(3) 0.1791(2) 0.69279(19) 0.0204(6) Uani 1 1 d . . .
H21 H 0.2917 0.1871 0.7196 0.024 Uiso 1 1 calc R . .
C22 C 0.4513(3) 0.2212(2) 0.59195(19) 0.0182(5) Uani 1 1 d . . .
H22 H 0.3877 0.2573 0.5503 0.022 Uiso 1 1 calc R . .
C23 C 0.6067(3) 0.2077(2) 0.55477(18) 0.0160(5) Uani 1 1 d . . .
C24 C 0.6496(3) 0.3126(2) 0.37222(19) 0.0168(5) Uani 1 1 d . . .
C25 C 0.4666(3) 0.4793(2) 0.3305(2) 0.0206(6) Uani 1 1 d . . .
C26 C 0.3328(3) 0.5334(2) 0.4007(2) 0.0306(7) Uani 1 1 d . . .
H26A H 0.2612 0.4832 0.4322 0.046 Uiso 1 1 calc R . .
H26B H 0.2866 0.6014 0.3634 0.046 Uiso 1 1 calc R . .
H26C H 0.3662 0.5497 0.4509 0.046 Uiso 1 1 calc R . .
C27 C 0.4179(3) 0.4468(2) 0.2529(2) 0.0263(6) Uani 1 1 d . . .
H27A H 0.5041 0.4123 0.2103 0.039 Uiso 1 1 calc R . .
H27B H 0.3704 0.5123 0.2136 0.039 Uiso 1 1 calc R . .
H27C H 0.3483 0.3953 0.2858 0.039 Uiso 1 1 calc R . .
C28 C 0.5886(3) 0.5509(2) 0.2860(2) 0.0283(6) Uani 1 1 d . . .
H28A H 0.6255 0.5587 0.3384 0.042 Uiso 1 1 calc R . .
H28B H 0.5486 0.6232 0.2513 0.042 Uiso 1 1 calc R . .
H28C H 0.6692 0.5162 0.2401 0.042 Uiso 1 1 calc R . .
C29 C 1.1170(3) 0.0669(2) 0.60666(19) 0.0172(5) Uani 1 1 d . . .
H29 H 1.0949 0.0369 0.6752 0.021 Uiso 1 1 calc R . .
C30 C 1.0141(3) 0.1198(2) 0.55104(18) 0.0152(5) Uani 1 1 d . . .
C31 C 1.0960(3) 0.15444(19) 0.45057(18) 0.0155(5) Uani 1 1 d . . .
C32 C 1.2474(3) 0.1191(2) 0.44705(18) 0.0165(5) Uani 1 1 d . . .
C33 C 1.3828(3) 0.1255(2) 0.36731(19) 0.0181(5) Uani 1 1 d . . .
C34 C 1.4796(3) 0.1907(2) 0.1932(2) 0.0255(6) Uani 1 1 d . . .
H34A H 1.5595 0.2098 0.2101 0.038 Uiso 1 1 calc R . .
H34B H 1.4505 0.2483 0.1393 0.038 Uiso 1 1 calc R . .
H34C H 1.5131 0.1211 0.1732 0.038 Uiso 1 1 calc R . .
N1 N 1.0760(2) 0.25170(17) 0.20107(15) 0.0177(4) Uani 1 1 d . . .
N2 N 0.6933(2) 0.23912(16) 0.45570(15) 0.0154(4) Uani 1 1 d . . .
N3 N 1.2563(2) 0.06638(17) 0.54365(15) 0.0169(4) Uani 1 1 d . . .
H3A H 1.3386 0.0373 0.5615 0.020 Uiso 1 1 calc R . .
O1 O 1.2198(2) 0.31455(16) 0.02757(13) 0.0262(4) Uani 1 1 d . . .
O2 O 1.2108(2) 0.11255(16) 0.10280(14) 0.0280(4) Uani 1 1 d . . .
O3 O 0.72556(19) 0.31536(15) 0.28860(13) 0.0207(4) Uani 1 1 d . . .
O4 O 0.51899(19) 0.37606(15) 0.40174(13) 0.0218(4) Uani 1 1 d . . .
O5 O 1.35214(19) 0.17995(15) 0.27946(13) 0.0209(4) Uani 1 1 d . . .
O6 O 1.51002(19) 0.08800(15) 0.37748(14) 0.0254(4) Uani 1 1 d . . .
S S 1.13856(7) 0.22674(5) 0.09007(5) 0.01920(16) Uani 1 1 d . . .
Cl1 Cl 0.41063(7) 0.07796(6) 0.88206(5) 0.02572(17) Uani 1 1 d . . .
Cl2 Cl 0.94778(7) 0.64514(5) 0.37076(5) 0.02526(17) Uani 1 1 d . . .


_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
C1 C2 1.513(4) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C7 1.383(4) . ?
C2 C3 1.384(4) . ?
C3 C4 1.398(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.376(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.397(4) . ?
C5 S 1.761(3) . ?
C6 C7 1.384(4) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C13 1.382(3) . ?
C8 C9 1.388(4) . ?
C8 N1 1.417(3) . ?
C9 C10 1.388(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.383(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.388(4) . ?
C11 Cl2 1.753(3) . ?
C12 C13 1.389(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.527(3) . ?
C14 C16 1.520(3) . ?
C14 C31 1.532(3) . ?
C14 C15 1.560(3) . ?
C15 N1 1.475(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.363(3) . ?
C16 N2 1.407(3) . ?
C17 C18 1.437(3) . ?
C17 C30 1.463(3) . ?
C18 C19 1.395(3) . ?
C18 C23 1.421(3) . ?
C19 C20 1.387(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.388(4) . ?
C20 Cl1 1.751(3) . ?
C21 C22 1.382(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.394(3) . ?
C22 H22 0.9300 . ?
C23 N2 1.414(3) . ?
C24 O3 1.201(3) . ?
C24 O4 1.331(3) . ?
C24 N2 1.402(3) . ?
C25 O4 1.498(3) . ?
C25 C28 1.511(4) . ?
C25 C27 1.517(4) . ?
C25 C26 1.524(4) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 N3 1.359(3) . ?
C29 C30 1.377(3) . ?
C29 H29 0.9300 . ?
C30 C31 1.420(3) . ?
C31 C32 1.388(3) . ?
C32 N3 1.381(3) . ?
C32 C33 1.443(4) . ?
C33 O6 1.223(3) . ?
C33 O5 1.339(3) . ?
C34 O5 1.450(3) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
N1 S 1.629(2) . ?
N3 H3A 0.8600 . ?
O1 S 1.4324(19) . ?
O2 S 1.433(2) . ?

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
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C7 C2 C3 119.0(2) . . ?
C7 C2 C1 120.0(3) . . ?
C3 C2 C1 121.0(3) . . ?
C2 C3 C4 120.9(3) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C5 C4 C3 119.3(3) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 120.3(2) . . ?
C4 C5 S 120.8(2) . . ?
C6 C5 S 118.8(2) . . ?
C7 C6 C5 119.5(3) . . ?
C7 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C6 C7 C2 120.9(3) . . ?
C6 C7 H7 119.5 . . ?
C2 C7 H7 119.5 . . ?
C13 C8 C9 121.3(2) . . ?
C13 C8 N1 109.3(2) . . ?
C9 C8 N1 129.3(2) . . ?
C10 C9 C8 118.3(2) . . ?
C10 C9 H9 120.9 . . ?
C8 C9 H9 120.9 . . ?
C11 C10 C9 120.2(2) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 121.8(2) . . ?
C10 C11 Cl2 118.6(2) . . ?
C12 C11 Cl2 119.6(2) . . ?
C11 C12 C13 117.7(2) . . ?
C11 C12 H12 121.2 . . ?
C13 C12 H12 121.2 . . ?
C8 C13 C12 120.7(2) . . ?
C8 C13 C14 111.5(2) . . ?
C12 C13 C14 127.7(2) . . ?
C16 C14 C13 113.27(19) . . ?
C16 C14 C31 97.36(19) . . ?
C13 C14 C31 115.10(18) . . ?
C16 C14 C15 115.48(18) . . ?
C13 C14 C15 102.16(19) . . ?
C31 C14 C15 114.18(19) . . ?
N1 C15 C14 105.17(19) . . ?
N1 C15 H15A 110.7 . . ?
C14 C15 H15A 110.7 . . ?
N1 C15 H15B 110.7 . . ?
C14 C15 H15B 110.7 . . ?
H15A C15 H15B 108.8 . . ?
C17 C16 N2 110.0(2) . . ?
C17 C16 C14 115.6(2) . . ?
N2 C16 C14 133.8(2) . . ?
C16 C17 C18 108.6(2) . . ?
C16 C17 C30 107.1(2) . . ?
C18 C17 C30 144.2(2) . . ?
C19 C18 C23 119.5(2) . . ?
C19 C18 C17 134.6(2) . . ?
C23 C18 C17 105.9(2) . . ?
C20 C19 C18 117.8(2) . . ?
C20 C19 H19 121.1 . . ?
C18 C19 H19 121.1 . . ?
C21 C20 C19 122.4(2) . . ?
C21 C20 Cl1 118.1(2) . . ?
C19 C20 Cl1 119.5(2) . . ?
C22 C21 C20 120.8(2) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 117.8(2) . . ?
C21 C22 H22 121.1 . . ?
C23 C22 H22 121.1 . . ?
C22 C23 N2 129.6(2) . . ?
C22 C23 C18 121.6(2) . . ?
N2 C23 C18 108.7(2) . . ?
O3 C24 O4 128.0(2) . . ?
O3 C24 N2 122.3(2) . . ?
O4 C24 N2 109.7(2) . . ?
O4 C25 C28 109.4(2) . . ?
O4 C25 C27 109.5(2) . . ?
C28 C25 C27 113.5(2) . . ?
O4 C25 C26 100.9(2) . . ?
C28 C25 C26 111.5(2) . . ?
C27 C25 C26 111.3(2) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N3 C29 C30 107.9(2) . . ?
N3 C29 H29 126.0 . . ?
C30 C29 H29 126.0 . . ?
C29 C30 C31 107.3(2) . . ?
C29 C30 C17 145.0(2) . . ?
C31 C30 C17 107.5(2) . . ?
C32 C31 C30 107.7(2) . . ?
C32 C31 C14 140.0(2) . . ?
C30 C31 C14 112.2(2) . . ?
N3 C32 C31 106.5(2) . . ?
N3 C32 C33 119.8(2) . . ?
C31 C32 C33 133.7(2) . . ?
O6 C33 O5 123.6(2) . . ?
O6 C33 C32 125.2(2) . . ?
O5 C33 C32 111.2(2) . . ?
O5 C34 H34A 109.5 . . ?
O5 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
O5 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C8 N1 C15 110.50(19) . . ?
C8 N1 S 128.54(17) . . ?
C15 N1 S 120.77(16) . . ?
C24 N2 C16 123.0(2) . . ?
C24 N2 C23 129.3(2) . . ?
C16 N2 C23 106.70(19) . . ?
C29 N3 C32 110.55(19) . . ?
C29 N3 H3A 124.7 . . ?
C32 N3 H3A 124.7 . . ?
C24 O4 C25 119.9(2) . . ?
C33 O5 C34 116.35(19) . . ?
O1 S O2 120.48(12) . . ?
O1 S N1 107.12(11) . . ?
O2 S N1 106.67(11) . . ?
O1 S C5 108.61(12) . . ?
O2 S C5 106.75(12) . . ?
N1 S C5 106.42(12) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        27.83
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.430
_refine_diff_density_rms         0.074
_exptl_crystal_recrystallization_method 
'liquid-liquid diffusion with CDCl3-Et2O'
