# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 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_liujun181221_1_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1887245'
_audit_update_record             
;
2019-02-11 deposited with the CCDC.	2019-03-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H23 I N2 O2 S'
_chemical_formula_weight         590.45

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'
I I -0.4742 1.8119 '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)/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                   12.861(7)
_cell_length_b                   15.356(9)
_cell_length_c                   13.575(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.411(15)
_cell_angle_gamma                90.00
_cell_volume                     2558(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    283(2)
_cell_measurement_reflns_used    164
_cell_measurement_theta_min      2.83
_cell_measurement_theta_max      23.55

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1184
_exptl_absorpt_coefficient_mu    1.362
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7629
_exptl_absorpt_correction_T_max  0.8115
_exptl_absorpt_process_details   '(SADABS; Bruker, 2016)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      283(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  'CMOS area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35806
_diffrn_reflns_av_R_equivalents  0.0640
_diffrn_reflns_av_sigmaI/netI    0.0376
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.65
_diffrn_reflns_theta_max         26.09
_reflns_number_total             5046
_reflns_number_gt                3454
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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 > 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)+(0.1085P)²+3.0901P] 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     SHELXL
_refine_ls_extinction_coef       0.0263(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5046
_refine_ls_number_parameters     317
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0652
_refine_ls_wR_factor_ref         0.2022
_refine_ls_wR_factor_gt          0.1640
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.111
_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
I1 I 0.96599(4) 0.97033(4) 0.63945(4) 0.0904(3) Uani 1 1 d . . .
S1 S 0.26819(10) 0.66748(8) 0.24801(11) 0.0494(4) Uani 1 1 d . . .
O1 O 0.2133(3) 0.6220(2) 0.3103(3) 0.0679(11) Uani 1 1 d . . .
O2 O 0.3218(3) 0.6192(2) 0.1873(3) 0.0688(12) Uani 1 1 d . . .
C13 C 0.7982(4) 0.8287(3) 0.5795(4) 0.0496(12) Uani 1 1 d . . .
H13 H 0.8533 0.7963 0.6245 0.060 Uiso 1 1 calc R . .
N2 N 0.5108(3) 0.8031(2) 0.4188(3) 0.0423(9) Uani 1 1 d . . .
N1 N 0.3347(4) 0.7844(3) 0.4024(4) 0.0551(11) Uani 1 1 d . . .
C18 C 0.5914(4) 0.6196(3) 0.3083(4) 0.0389(10) Uani 1 1 d . . .
C14 C 0.8153(4) 0.9142(3) 0.5603(4) 0.0468(11) Uani 1 1 d . . .
C12 C 0.6981(4) 0.7911(3) 0.5313(4) 0.0441(11) Uani 1 1 d . . .
H12 H 0.6850 0.7332 0.5441 0.053 Uiso 1 1 calc R . .
C11 C 0.6180(4) 0.8404(3) 0.4640(3) 0.0401(10) Uani 1 1 d . . .
C10 C 0.4733(4) 0.7452(3) 0.3378(3) 0.0385(10) Uani 1 1 d . . .
C8 C 0.3655(4) 0.7353(3) 0.3305(4) 0.0429(10) Uani 1 1 d . . .
C1 C 0.1731(4) 0.7375(3) 0.1644(4) 0.0431(11) Uani 1 1 d . . .
C2 C 0.1048(5) 0.7885(4) 0.2029(5) 0.0601(14) Uani 1 1 d . . .
H2 H 0.1108 0.7876 0.2728 0.072 Uiso 1 1 calc R . .
C3 C 0.0276(5) 0.8405(4) 0.1354(6) 0.0742(18) Uani 1 1 d . . .
H3 H -0.0182 0.8747 0.1610 0.089 Uiso 1 1 calc R . .
C4 C 0.0170(5) 0.8430(4) 0.0318(6) 0.0745(19) Uani 1 1 d . . .
C7 C -0.0691(8) 0.8984(5) -0.0414(9) 0.139(5) Uani 1 1 d . . .
H7A H -0.0506 0.9069 -0.1042 0.208 Uiso 1 1 calc R . .
H7B H -0.0732 0.9538 -0.0100 0.208 Uiso 1 1 calc R . .
H7C H -0.1384 0.8696 -0.0566 0.208 Uiso 1 1 calc R . .
C15 C 0.7357(5) 0.9641(3) 0.4929(4) 0.0500(12) Uani 1 1 d . . .
H15 H 0.7485 1.0221 0.4807 0.060 Uiso 1 1 calc R . .
C16 C 0.6369(4) 0.9256(3) 0.4444(4) 0.0460(11) Uani 1 1 d . . .
H16 H 0.5826 0.9577 0.3980 0.055 Uiso 1 1 calc R . .
C9 C 0.4237(4) 0.8240(4) 0.4528(4) 0.0530(13) Uani 1 1 d . . .
H9 H 0.4281 0.8628 0.5065 0.064 Uiso 1 1 calc R . .
C6 C 0.1668(5) 0.7413(4) 0.0620(5) 0.0651(15) Uani 1 1 d . . .
H6 H 0.2144 0.7094 0.0364 0.078 Uiso 1 1 calc R . .
C5 C 0.0867(6) 0.7945(5) -0.0034(5) 0.080(2) Uani 1 1 d . . .
H5 H 0.0811 0.7966 -0.0732 0.096 Uiso 1 1 calc R . .
C17 C 0.5400(4) 0.7083(3) 0.2731(3) 0.0372(9) Uani 1 1 d . . .
H17 H 0.4877 0.6978 0.2051 0.045 Uiso 1 1 calc R . .
C24 C 0.6196(4) 0.7762(3) 0.2544(3) 0.0378(10) Uani 1 1 d . . .
C29 C 0.5763(4) 0.8489(3) 0.1966(4) 0.0474(11) Uani 1 1 d . . .
H29 H 0.5014 0.8535 0.1666 0.057 Uiso 1 1 calc R . .
C28 C 0.6447(5) 0.9152(3) 0.1831(4) 0.0575(14) Uani 1 1 d . . .
H28 H 0.6149 0.9644 0.1452 0.069 Uiso 1 1 calc R . .
C27 C 0.7542(5) 0.9087(3) 0.2249(5) 0.0598(14) Uani 1 1 d . . .
H27 H 0.7991 0.9536 0.2159 0.072 Uiso 1 1 calc R . .
C26 C 0.7987(5) 0.8363(4) 0.2801(5) 0.0577(14) Uani 1 1 d . . .
H26 H 0.8739 0.8310 0.3075 0.069 Uiso 1 1 calc R . .
C25 C 0.7297(4) 0.7700(3) 0.2951(4) 0.0467(11) Uani 1 1 d . . .
H25 H 0.7598 0.7211 0.3335 0.056 Uiso 1 1 calc R . .
C19 C 0.6326(4) 0.5734(3) 0.2398(4) 0.0488(11) Uani 1 1 d . . .
H19 H 0.6262 0.5963 0.1749 0.059 Uiso 1 1 calc R . .
C20 C 0.6831(5) 0.4933(3) 0.2678(5) 0.0568(14) Uani 1 1 d . . .
H20 H 0.7113 0.4634 0.2220 0.068 Uiso 1 1 calc R . .
C21 C 0.6913(5) 0.4585(3) 0.3624(5) 0.0559(14) Uani 1 1 d . . .
H21 H 0.7254 0.4049 0.3809 0.067 Uiso 1 1 calc R . .
C22 C 0.6494(5) 0.5023(4) 0.4303(5) 0.0583(14) Uani 1 1 d . . .
H22 H 0.6544 0.4781 0.4944 0.070 Uiso 1 1 calc R . .
C23 C 0.5995(4) 0.5829(3) 0.4031(4) 0.0485(11) Uani 1 1 d . . .
H23 H 0.5714 0.6124 0.4493 0.058 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
I1 C14 2.099(5) . ?
S1 O2 1.430(4) . ?
S1 O1 1.435(4) . ?
S1 C8 1.751(5) . ?
S1 C1 1.764(5) . ?
C13 C14 1.368(7) . ?
C13 C12 1.385(7) . ?
C13 H13 0.9300 . ?
N2 C9 1.371(6) . ?
N2 C10 1.383(6) . ?
N2 C11 1.449(6) . ?
N1 C9 1.296(7) . ?
N1 C8 1.382(6) . ?
C18 C23 1.380(7) . ?
C18 C19 1.394(7) . ?
C18 C17 1.526(6) . ?
C14 C15 1.382(7) . ?
C12 C11 1.381(7) . ?
C12 H12 0.9300 . ?
C11 C16 1.372(7) . ?
C10 C8 1.368(6) . ?
C10 C17 1.510(6) . ?
C1 C6 1.369(8) . ?
C1 C2 1.389(7) . ?
C2 C3 1.385(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.357(10) . ?
C4 C7 1.509(10) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C15 C16 1.377(7) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C9 H9 0.9300 . ?
C6 C5 1.403(10) . ?
C6 H6 0.9300 . ?
C5 H5 0.9300 . ?
C17 C24 1.534(6) . ?
C17 H17 0.9800 . ?
C24 C25 1.361(7) . ?
C24 C29 1.382(6) . ?
C29 C28 1.393(8) . ?
C29 H29 0.9300 . ?
C28 C27 1.355(9) . ?
C28 H28 0.9300 . ?
C27 C26 1.367(8) . ?
C27 H27 0.9300 . ?
C26 C25 1.405(7) . ?
C26 H26 0.9300 . ?
C25 H25 0.9300 . ?
C19 C20 1.389(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.366(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.375(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.393(8) . ?
C22 H22 0.9300 . ?
C23 H23 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
O2 S1 O1 119.6(3) . . ?
O2 S1 C8 107.6(2) . . ?
O1 S1 C8 107.3(2) . . ?
O2 S1 C1 107.9(3) . . ?
O1 S1 C1 107.9(2) . . ?
C8 S1 C1 105.9(2) . . ?
C14 C13 C12 119.4(5) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C9 N2 C10 107.0(4) . . ?
C9 N2 C11 122.3(4) . . ?
C10 N2 C11 130.6(4) . . ?
C9 N1 C8 103.5(4) . . ?
C23 C18 C19 118.4(4) . . ?
C23 C18 C17 124.1(4) . . ?
C19 C18 C17 117.5(4) . . ?
C13 C14 C15 121.9(5) . . ?
C13 C14 I1 118.2(4) . . ?
C15 C14 I1 119.9(4) . . ?
C11 C12 C13 119.2(4) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C16 C11 C12 120.7(4) . . ?
C16 C11 N2 119.8(4) . . ?
C12 C11 N2 119.4(4) . . ?
C8 C10 N2 103.5(4) . . ?
C8 C10 C17 131.0(4) . . ?
N2 C10 C17 125.5(4) . . ?
C10 C8 N1 112.8(4) . . ?
C10 C8 S1 128.8(4) . . ?
N1 C8 S1 118.4(3) . . ?
C6 C1 C2 120.3(5) . . ?
C6 C1 S1 119.9(4) . . ?
C2 C1 S1 119.8(4) . . ?
C3 C2 C1 119.0(6) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C4 C3 C2 121.7(6) . . ?
C4 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
C5 C4 C3 118.1(6) . . ?
C5 C4 C7 120.6(9) . . ?
C3 C4 C7 121.2(8) . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C16 C15 C14 118.3(4) . . ?
C16 C15 H15 120.9 . . ?
C14 C15 H15 120.9 . . ?
C11 C16 C15 120.6(5) . . ?
C11 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
N1 C9 N2 113.2(4) . . ?
N1 C9 H9 123.4 . . ?
N2 C9 H9 123.4 . . ?
C1 C6 C5 118.5(6) . . ?
C1 C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
C4 C5 C6 122.3(6) . . ?
C4 C5 H5 118.9 . . ?
C6 C5 H5 118.9 . . ?
C10 C17 C18 114.9(4) . . ?
C10 C17 C24 111.3(3) . . ?
C18 C17 C24 114.2(4) . . ?
C10 C17 H17 105.1 . . ?
C18 C17 H17 105.1 . . ?
C24 C17 H17 105.1 . . ?
C25 C24 C29 118.7(4) . . ?
C25 C24 C17 123.4(4) . . ?
C29 C24 C17 117.9(4) . . ?
C24 C29 C28 120.2(5) . . ?
C24 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C27 C28 C29 120.6(5) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C27 C26 120.1(5) . . ?
C28 C27 H27 119.9 . . ?
C26 C27 H27 119.9 . . ?
C27 C26 C25 119.3(5) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C24 C25 C26 121.1(5) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C20 C19 C18 120.6(5) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C21 C20 C19 120.1(5) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 120.2(5) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C23 119.9(5) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C18 C23 C22 120.7(5) . . ?
C18 C23 H23 119.6 . . ?
C22 C23 H23 119.6 . . ?

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
C12 C13 C14 C15 -0.8(8) . . . . ?
C12 C13 C14 I1 177.6(4) . . . . ?
C14 C13 C12 C11 0.7(7) . . . . ?
C13 C12 C11 C16 0.2(7) . . . . ?
C13 C12 C11 N2 -175.8(4) . . . . ?
C9 N2 C11 C16 -73.0(6) . . . . ?
C10 N2 C11 C16 105.4(6) . . . . ?
C9 N2 C11 C12 103.1(6) . . . . ?
C10 N2 C11 C12 -78.5(6) . . . . ?
C9 N2 C10 C8 -0.7(5) . . . . ?
C11 N2 C10 C8 -179.3(4) . . . . ?
C9 N2 C10 C17 176.6(4) . . . . ?
C11 N2 C10 C17 -1.9(7) . . . . ?
N2 C10 C8 N1 0.3(5) . . . . ?
C17 C10 C8 N1 -176.8(5) . . . . ?
N2 C10 C8 S1 -176.9(4) . . . . ?
C17 C10 C8 S1 6.0(8) . . . . ?
C9 N1 C8 C10 0.2(6) . . . . ?
C9 N1 C8 S1 177.7(4) . . . . ?
O2 S1 C8 C10 1.6(5) . . . . ?
O1 S1 C8 C10 131.4(5) . . . . ?
C1 S1 C8 C10 -113.5(5) . . . . ?
O2 S1 C8 N1 -175.5(4) . . . . ?
O1 S1 C8 N1 -45.7(5) . . . . ?
C1 S1 C8 N1 69.4(4) . . . . ?
O2 S1 C1 C6 -3.7(5) . . . . ?
O1 S1 C1 C6 -134.2(4) . . . . ?
C8 S1 C1 C6 111.2(4) . . . . ?
O2 S1 C1 C2 176.1(4) . . . . ?
O1 S1 C1 C2 45.6(5) . . . . ?
C8 S1 C1 C2 -69.0(4) . . . . ?
C6 C1 C2 C3 2.4(8) . . . . ?
S1 C1 C2 C3 -177.4(4) . . . . ?
C1 C2 C3 C4 0.0(9) . . . . ?
C2 C3 C4 C5 -1.7(9) . . . . ?
C2 C3 C4 C7 178.5(6) . . . . ?
C13 C14 C15 C16 -0.1(8) . . . . ?
I1 C14 C15 C16 -178.4(4) . . . . ?
C12 C11 C16 C15 -1.1(7) . . . . ?
N2 C11 C16 C15 174.9(4) . . . . ?
C14 C15 C16 C11 1.0(8) . . . . ?
C8 N1 C9 N2 -0.7(6) . . . . ?
C10 N2 C9 N1 0.9(6) . . . . ?
C11 N2 C9 N1 179.6(5) . . . . ?
C2 C1 C6 C5 -2.9(8) . . . . ?
S1 C1 C6 C5 176.9(5) . . . . ?
C3 C4 C5 C6 1.2(10) . . . . ?
C7 C4 C5 C6 -179.1(6) . . . . ?
C1 C6 C5 C4 1.1(9) . . . . ?
C8 C10 C17 C18 -88.5(6) . . . . ?
N2 C10 C17 C18 95.0(5) . . . . ?
C8 C10 C17 C24 139.7(5) . . . . ?
N2 C10 C17 C24 -36.9(6) . . . . ?
C23 C18 C17 C10 -14.2(6) . . . . ?
C19 C18 C17 C10 165.8(4) . . . . ?
C23 C18 C17 C24 116.2(5) . . . . ?
C19 C18 C17 C24 -63.8(5) . . . . ?
C10 C17 C24 C25 112.2(5) . . . . ?
C18 C17 C24 C25 -20.0(6) . . . . ?
C10 C17 C24 C29 -65.2(5) . . . . ?
C18 C17 C24 C29 162.6(4) . . . . ?
C25 C24 C29 C28 -1.8(7) . . . . ?
C17 C24 C29 C28 175.7(4) . . . . ?
C24 C29 C28 C27 1.2(8) . . . . ?
C29 C28 C27 C26 0.5(8) . . . . ?
C28 C27 C26 C25 -1.5(8) . . . . ?
C29 C24 C25 C26 0.8(7) . . . . ?
C17 C24 C25 C26 -176.6(5) . . . . ?
C27 C26 C25 C24 0.9(8) . . . . ?
C23 C18 C19 C20 -1.7(7) . . . . ?
C17 C18 C19 C20 178.3(5) . . . . ?
C18 C19 C20 C21 1.1(8) . . . . ?
C19 C20 C21 C22 0.2(9) . . . . ?
C20 C21 C22 C23 -0.8(9) . . . . ?
C19 C18 C23 C22 1.1(7) . . . . ?
C17 C18 C23 C22 -178.9(5) . . . . ?
C21 C22 C23 C18 0.1(8) . . . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.160
_refine_diff_density_min         -1.295
_refine_diff_density_rms         0.339
