# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_z
_database_code_depnum_ccdc_archive 'CCDC 1445375'
_audit_update_record             
;
2016-01-05 deposited with the CCDC.
2016-03-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'triethyl 3-(4-chlorophenyl)-5-fluoro-1-tosyl-1H-pyrrole-2,2,4(3H)-tricarboxylate'
_chemical_name_common            ?
_chemical_melting_point          124-126
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H27 Cl F N O8 S'
_chemical_formula_weight         568.00

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'
F F 0.0171 0.0103 '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   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                   11.3397(13)
_cell_length_b                   20.295(2)
_cell_length_c                   13.4500(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.440(4)
_cell_angle_gamma                90.00
_cell_volume                     2818.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1184
_exptl_absorpt_coefficient_mu    0.264
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9204
_exptl_absorpt_correction_T_max  0.9615
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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_reflns_number            32666
_diffrn_reflns_av_R_equivalents  0.0631
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4956
_reflns_number_gt                3114
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_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 > 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)+(0.0770P)²+1.4107P] 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         4956
_refine_ls_number_parameters     343
_refine_ls_number_restraints     8
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0540
_refine_ls_wR_factor_ref         0.1664
_refine_ls_wR_factor_gt          0.1386
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.023
_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
S1 S 0.04644(8) 0.66029(4) 0.84157(7) 0.0535(3) Uani 1 1 d . . .
F1 F 0.07567(17) 0.53819(9) 0.73805(16) 0.0626(5) Uani 1 1 d . . .
Cl1 Cl -0.59095(16) 0.43150(9) 0.87231(16) 0.1527(7) Uani 1 1 d . . .
O1 O -0.1913(3) 0.71828(13) 0.6125(2) 0.0872(9) Uani 1 1 d . . .
O2 O -0.3800(2) 0.66738(13) 0.5548(2) 0.0768(8) Uani 1 1 d . . .
O3 O -0.2563(3) 0.42501(13) 0.5549(3) 0.0901(9) Uani 1 1 d . . .
O4 O -0.0412(2) 0.43000(11) 0.6246(2) 0.0760(8) Uani 1 1 d . . .
O5 O -0.3373(2) 0.67710(13) 0.7904(2) 0.0709(7) Uani 1 1 d . . .
O6 O -0.1754(2) 0.61022(11) 0.89353(17) 0.0566(6) Uani 1 1 d . . .
O7 O 0.1228(2) 0.61843(12) 0.92935(18) 0.0692(7) Uani 1 1 d . . .
O8 O -0.0225(2) 0.71418(11) 0.85969(19) 0.0640(6) Uani 1 1 d . . .
N1 N -0.0688(2) 0.61368(12) 0.7478(2) 0.0477(6) Uani 1 1 d . . .
C1 C 0.1418(3) 0.68744(16) 0.7752(3) 0.0521(8) Uani 1 1 d . . .
C2 C 0.2547(3) 0.65460(17) 0.7898(3) 0.0635(9) Uani 1 1 d . . .
H2A H 0.2829 0.6193 0.8381 0.076 Uiso 1 1 calc R . .
C3 C 0.3246(4) 0.67409(19) 0.7331(3) 0.0708(10) Uani 1 1 d . . .
H3A H 0.4002 0.6517 0.7430 0.085 Uiso 1 1 calc R . .
C4 C 0.2845(3) 0.72660(19) 0.6609(3) 0.0635(9) Uani 1 1 d . . .
C5 C 0.1746(4) 0.76027(19) 0.6508(3) 0.0671(10) Uani 1 1 d . . .
H5A H 0.1484 0.7967 0.6049 0.080 Uiso 1 1 calc R . .
C6 C 0.1027(3) 0.74131(17) 0.7068(3) 0.0619(9) Uani 1 1 d . . .
H6A H 0.0285 0.7645 0.6987 0.074 Uiso 1 1 calc R . .
C7 C -0.2105(3) 0.62211(14) 0.7096(2) 0.0461(7) Uani 1 1 d . . .
C8 C -0.2685(3) 0.55124(15) 0.6598(3) 0.0495(8) Uani 1 1 d . . .
H8A H -0.3247 0.5574 0.5822 0.059 Uiso 1 1 calc R . .
C9 C -0.1489(3) 0.51450(15) 0.6675(3) 0.0505(8) Uani 1 1 d . . .
C10 C -0.0461(3) 0.55136(15) 0.7176(3) 0.0485(8) Uani 1 1 d . . .
C11 C -0.3478(3) 0.51861(15) 0.7123(3) 0.0544(8) Uani 1 1 d . . .
C12 C -0.2932(4) 0.47926(18) 0.8043(3) 0.0652(10) Uani 1 1 d . . .
H12A H -0.2049 0.4703 0.8331 0.078 Uiso 1 1 calc R . .
C13 C -0.3672(4) 0.4532(2) 0.8539(3) 0.0802(12) Uani 1 1 d . . .
H13A H -0.3288 0.4277 0.9166 0.096 Uiso 1 1 calc R . .
C14 C -0.4965(5) 0.4649(2) 0.8105(4) 0.0842(12) Uani 1 1 d . . .
C15 C -0.5550(4) 0.5021(2) 0.7185(4) 0.0864(13) Uani 1 1 d . . .
H15A H -0.6439 0.5095 0.6895 0.104 Uiso 1 1 calc R . .
C16 C -0.4804(3) 0.52885(18) 0.6686(3) 0.0701(10) Uani 1 1 d . . .
H16A H -0.5198 0.5539 0.6055 0.084 Uiso 1 1 calc R . .
C17 C -0.2576(3) 0.67569(16) 0.6212(3) 0.0524(8) Uani 1 1 d . . .
C18 C -0.4328(4) 0.71080(19) 0.4612(3) 0.0821(12) Uani 1 1 d DU . .
H18A H -0.3644 0.7358 0.4531 0.098 Uiso 1 1 calc R . .
H18B H -0.4945 0.7413 0.4686 0.098 Uiso 1 1 calc R . .
C19 C -0.4988(10) 0.6655(3) 0.3641(4) 0.246(6) Uani 1 1 d DU . .
H19A H -0.5355 0.6912 0.2985 0.369 Uiso 1 1 calc R . .
H19B H -0.5663 0.6413 0.3735 0.369 Uiso 1 1 calc R . .
H19C H -0.4365 0.6353 0.3590 0.369 Uiso 1 1 calc R . .
C20 C -0.1571(4) 0.45204(17) 0.6103(3) 0.0617(9) Uani 1 1 d . . .
C21 C -0.0358(5) 0.3716(2) 0.5641(4) 0.0922(14) Uani 1 1 d . . .
H21A H -0.0595 0.3331 0.5943 0.111 Uiso 1 1 calc R . .
H21B H -0.0964 0.3759 0.4882 0.111 Uiso 1 1 calc R . .
C22 C 0.0920(6) 0.3645(3) 0.5713(6) 0.154(3) Uani 1 1 d . . .
H22A H 0.0960 0.3266 0.5300 0.231 Uiso 1 1 calc R . .
H22B H 0.1511 0.3588 0.6464 0.231 Uiso 1 1 calc R . .
H22C H 0.1155 0.4031 0.5425 0.231 Uiso 1 1 calc R . .
C23 C -0.2489(3) 0.64130(16) 0.8021(3) 0.0512(8) Uani 1 1 d . . .
C24 C -0.2016(4) 0.6237(2) 0.9887(3) 0.0796(12) Uani 1 1 d . . .
H24A H -0.2888 0.6101 0.9755 0.096 Uiso 1 1 calc R . .
H24B H -0.1929 0.6704 1.0054 0.096 Uiso 1 1 calc R . .
C25 C -0.1047(5) 0.5853(3) 1.0807(3) 0.0992(15) Uani 1 1 d . . .
H25A H -0.1190 0.5922 1.1455 0.149 Uiso 1 1 calc R . .
H25B H -0.0190 0.5997 1.0934 0.149 Uiso 1 1 calc R . .
H25C H -0.1135 0.5393 1.0625 0.149 Uiso 1 1 calc R . .
C26 C 0.3579(4) 0.7456(3) 0.5941(4) 0.0910(13) Uani 1 1 d . . .
H26A H 0.3176 0.7833 0.5500 0.137 Uiso 1 1 calc R . .
H26B H 0.3570 0.7095 0.5476 0.137 Uiso 1 1 calc R . .
H26C H 0.4458 0.7561 0.6419 0.137 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
S1 O7 1.421(2) . ?
S1 O8 1.423(2) . ?
S1 N1 1.682(3) . ?
S1 C1 1.753(3) . ?
F1 C10 1.320(3) . ?
Cl1 C14 1.741(4) . ?
O1 C17 1.183(4) . ?
O2 C17 1.314(4) . ?
O2 C18 1.448(4) . ?
O3 C20 1.195(4) . ?
O4 C20 1.325(4) . ?
O4 C21 1.453(4) . ?
O5 C23 1.194(4) . ?
O6 C23 1.325(4) . ?
O6 C24 1.455(4) . ?
N1 C10 1.384(4) . ?
N1 C7 1.481(4) . ?
C1 C6 1.378(5) . ?
C1 C2 1.383(5) . ?
C2 C3 1.366(5) . ?
C2 H2A 0.9300 . ?
C3 C4 1.385(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.378(5) . ?
C4 C26 1.506(5) . ?
C5 C6 1.375(5) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C7 C23 1.529(4) . ?
C7 C17 1.535(4) . ?
C7 C8 1.608(4) . ?
C8 C11 1.506(4) . ?
C8 C9 1.514(4) . ?
C8 H8A 0.9800 . ?
C9 C10 1.312(4) . ?
C9 C20 1.465(5) . ?
C11 C16 1.385(5) . ?
C11 C12 1.386(5) . ?
C12 C13 1.375(5) . ?
C12 H12A 0.9300 . ?
C13 C14 1.356(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.365(6) . ?
C15 C16 1.389(6) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C18 C19 1.5166(10) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C21 C22 1.419(6) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C24 C25 1.490(6) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 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
O7 S1 O8 120.44(15) . . ?
O7 S1 N1 107.72(14) . . ?
O8 S1 N1 104.45(14) . . ?
O7 S1 C1 108.58(16) . . ?
O8 S1 C1 110.13(15) . . ?
N1 S1 C1 104.24(14) . . ?
C17 O2 C18 116.9(3) . . ?
C20 O4 C21 117.6(3) . . ?
C23 O6 C24 116.6(3) . . ?
C10 N1 C7 108.1(2) . . ?
C10 N1 S1 123.6(2) . . ?
C7 N1 S1 126.1(2) . . ?
C6 C1 C2 120.1(3) . . ?
C6 C1 S1 119.5(3) . . ?
C2 C1 S1 120.4(3) . . ?
C3 C2 C1 119.8(3) . . ?
C3 C2 H2A 120.1 . . ?
C1 C2 H2A 120.1 . . ?
C2 C3 C4 121.1(4) . . ?
C2 C3 H3A 119.5 . . ?
C4 C3 H3A 119.5 . . ?
C5 C4 C3 118.1(3) . . ?
C5 C4 C26 121.0(4) . . ?
C3 C4 C26 120.9(4) . . ?
C6 C5 C4 121.6(4) . . ?
C6 C5 H5A 119.2 . . ?
C4 C5 H5A 119.2 . . ?
C5 C6 C1 119.1(3) . . ?
C5 C6 H6A 120.4 . . ?
C1 C6 H6A 120.4 . . ?
N1 C7 C23 112.4(2) . . ?
N1 C7 C17 109.3(3) . . ?
C23 C7 C17 109.0(2) . . ?
N1 C7 C8 103.9(2) . . ?
C23 C7 C8 111.2(2) . . ?
C17 C7 C8 111.1(2) . . ?
C11 C8 C9 116.3(3) . . ?
C11 C8 C7 114.8(3) . . ?
C9 C8 C7 102.2(2) . . ?
C11 C8 H8A 107.7 . . ?
C9 C8 H8A 107.7 . . ?
C7 C8 H8A 107.7 . . ?
C10 C9 C20 127.8(3) . . ?
C10 C9 C8 109.5(3) . . ?
C20 C9 C8 122.0(3) . . ?
C9 C10 F1 128.4(3) . . ?
C9 C10 N1 116.0(3) . . ?
F1 C10 N1 115.4(3) . . ?
C16 C11 C12 118.1(3) . . ?
C16 C11 C8 119.3(3) . . ?
C12 C11 C8 122.7(3) . . ?
C13 C12 C11 121.2(4) . . ?
C13 C12 H12A 119.4 . . ?
C11 C12 H12A 119.4 . . ?
C14 C13 C12 119.5(4) . . ?
C14 C13 H13A 120.2 . . ?
C12 C13 H13A 120.2 . . ?
C13 C14 C15 121.3(4) . . ?
C13 C14 Cl1 119.7(4) . . ?
C15 C14 Cl1 119.0(4) . . ?
C14 C15 C16 119.3(4) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C11 C16 C15 120.5(4) . . ?
C11 C16 H16A 119.7 . . ?
C15 C16 H16A 119.7 . . ?
O1 C17 O2 124.3(3) . . ?
O1 C17 C7 124.2(3) . . ?
O2 C17 C7 111.5(3) . . ?
O2 C18 C19 105.0(3) . . ?
O2 C18 H18A 110.7 . . ?
C19 C18 H18A 110.7 . . ?
O2 C18 H18B 110.7 . . ?
C19 C18 H18B 110.7 . . ?
H18A C18 H18B 108.8 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
O3 C20 O4 123.9(3) . . ?
O3 C20 C9 124.3(3) . . ?
O4 C20 C9 111.8(3) . . ?
C22 C21 O4 108.9(4) . . ?
C22 C21 H21A 109.9 . . ?
O4 C21 H21A 109.9 . . ?
C22 C21 H21B 109.9 . . ?
O4 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O5 C23 O6 125.7(3) . . ?
O5 C23 C7 123.6(3) . . ?
O6 C23 C7 110.6(3) . . ?
O6 C24 C25 106.5(3) . . ?
O6 C24 H24A 110.4 . . ?
C25 C24 H24A 110.4 . . ?
O6 C24 H24B 110.4 . . ?
C25 C24 H24B 110.4 . . ?
H24A C24 H24B 108.6 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C4 C26 H26A 109.5 . . ?
C4 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C4 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

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
O7 S1 N1 C10 -41.5(3) . . . . ?
O8 S1 N1 C10 -170.6(2) . . . . ?
C1 S1 N1 C10 73.8(3) . . . . ?
O7 S1 N1 C7 119.5(2) . . . . ?
O8 S1 N1 C7 -9.7(3) . . . . ?
C1 S1 N1 C7 -125.3(3) . . . . ?
O7 S1 C1 C6 -163.0(3) . . . . ?
O8 S1 C1 C6 -29.1(3) . . . . ?
N1 S1 C1 C6 82.4(3) . . . . ?
O7 S1 C1 C2 18.0(3) . . . . ?
O8 S1 C1 C2 151.8(3) . . . . ?
N1 S1 C1 C2 -96.7(3) . . . . ?
C6 C1 C2 C3 -2.6(5) . . . . ?
S1 C1 C2 C3 176.5(3) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
C2 C3 C4 C5 2.3(6) . . . . ?
C2 C3 C4 C26 -176.7(4) . . . . ?
C3 C4 C5 C6 -2.5(6) . . . . ?
C26 C4 C5 C6 176.4(4) . . . . ?
C4 C5 C6 C1 0.2(6) . . . . ?
C2 C1 C6 C5 2.3(5) . . . . ?
S1 C1 C6 C5 -176.7(3) . . . . ?
C10 N1 C7 C23 124.9(3) . . . . ?
S1 N1 C7 C23 -38.5(3) . . . . ?
C10 N1 C7 C17 -114.0(3) . . . . ?
S1 N1 C7 C17 82.6(3) . . . . ?
C10 N1 C7 C8 4.6(3) . . . . ?
S1 N1 C7 C8 -158.8(2) . . . . ?
N1 C7 C8 C11 121.4(3) . . . . ?
C23 C7 C8 C11 0.3(4) . . . . ?
C17 C7 C8 C11 -121.3(3) . . . . ?
N1 C7 C8 C9 -5.4(3) . . . . ?
C23 C7 C8 C9 -126.6(3) . . . . ?
C17 C7 C8 C9 111.9(3) . . . . ?
C11 C8 C9 C10 -121.1(3) . . . . ?
C7 C8 C9 C10 4.7(3) . . . . ?
C11 C8 C9 C20 67.6(4) . . . . ?
C7 C8 C9 C20 -166.6(3) . . . . ?
C20 C9 C10 F1 -7.4(6) . . . . ?
C8 C9 C10 F1 -178.1(3) . . . . ?
C20 C9 C10 N1 168.5(3) . . . . ?
C8 C9 C10 N1 -2.1(4) . . . . ?
C7 N1 C10 C9 -1.8(4) . . . . ?
S1 N1 C10 C9 162.1(2) . . . . ?
C7 N1 C10 F1 174.7(2) . . . . ?
S1 N1 C10 F1 -21.4(4) . . . . ?
C9 C8 C11 C16 -149.2(3) . . . . ?
C7 C8 C11 C16 91.7(4) . . . . ?
C9 C8 C11 C12 32.0(4) . . . . ?
C7 C8 C11 C12 -87.2(4) . . . . ?
C16 C11 C12 C13 -2.6(5) . . . . ?
C8 C11 C12 C13 176.3(3) . . . . ?
C11 C12 C13 C14 1.5(6) . . . . ?
C12 C13 C14 C15 0.0(7) . . . . ?
C12 C13 C14 Cl1 179.5(3) . . . . ?
C13 C14 C15 C16 -0.4(7) . . . . ?
Cl1 C14 C15 C16 -180.0(3) . . . . ?
C12 C11 C16 C15 2.2(5) . . . . ?
C8 C11 C16 C15 -176.8(3) . . . . ?
C14 C15 C16 C11 -0.7(6) . . . . ?
C18 O2 C17 O1 4.5(5) . . . . ?
C18 O2 C17 C7 -174.0(3) . . . . ?
N1 C7 C17 O1 -24.5(4) . . . . ?
C23 C7 C17 O1 98.7(4) . . . . ?
C8 C7 C17 O1 -138.5(3) . . . . ?
N1 C7 C17 O2 154.0(3) . . . . ?
C23 C7 C17 O2 -82.8(3) . . . . ?
C8 C7 C17 O2 40.0(4) . . . . ?
C17 O2 C18 C19 129.8(6) . . . . ?
C21 O4 C20 O3 3.7(6) . . . . ?
C21 O4 C20 C9 -174.4(3) . . . . ?
C10 C9 C20 O3 -170.4(4) . . . . ?
C8 C9 C20 O3 -0.8(6) . . . . ?
C10 C9 C20 O4 7.7(5) . . . . ?
C8 C9 C20 O4 177.3(3) . . . . ?
C20 O4 C21 C22 167.4(4) . . . . ?
C24 O6 C23 O5 -3.1(5) . . . . ?
C24 O6 C23 C7 -179.8(3) . . . . ?
N1 C7 C23 O5 145.7(3) . . . . ?
C17 C7 C23 O5 24.4(4) . . . . ?
C8 C7 C23 O5 -98.3(4) . . . . ?
N1 C7 C23 O6 -37.5(3) . . . . ?
C17 C7 C23 O6 -158.8(3) . . . . ?
C8 C7 C23 O6 78.4(3) . . . . ?
C23 O6 C24 C25 -178.1(3) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.046
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM/Hexane'
