# Supplementary Material (ESI) for ChemComm
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 182/1728

data_cal9972 
 
# SUBMISSION DETAILS

_audit_creation_method            'manual editing of SHELXL template'

_publ_contact_author_name         'Dr Tristram Chivers'
_publ_contact_author_address 
; Department of Chemistry
  University of Calgary
  Calgary Alberta T2N 1N4
  Canada
;
_publ_contact_author_email        chivers@ucalgary.ca
_publ_contact_author_fax          '001 403 289 9488'
_publ_contact_author_phone        '001 403 220 5741'
_publ_contact_letter
; To: Chemical Communications (B004137H)
   Please accept the following CIF data which is being submitted
   in support of an upcoming communication to be published in your
   Journal.
   Please forward any questions concerning 
   this CIF to Dr. Gabriele Schatte
   (schatte@ucalgary.ca).
;
_publ_requested_journal
 'Chem. Comm. '

# TITLE AND AUTHOR LIST

_publ_section_title
; Cycloaddition Reaction of tBuNCO and Te diimide dimer
;
loop_
_publ_author_name
_publ_author_footnote
_publ_author_address
 'Chivers, Tristram' .
; Department of Chemistry
  University of Calgary
  Calgary Alberta T2N 1N4
  Canada
;
 
 'Schatte, Gabriele' .
; Department of Chemistry
  University of Calgary
  Calgary Alberta T2N 1N4
  Canada
;
 'Sandblom, Nicole' .
; Department of Chemistry
  University of Calgary
  Calgary Alberta T2N 1N4
  Canada
;
 'Jasksa, Cory' .
; Department of Chemistry
  University of Calgary
  Calgary Alberta T2N 1N4
  Canada
;
_publ_section_acknowledgements
; ????
;

# CHEMICAL DATA 

_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C18 H36 N4 O4 Te2, C4 H8 O' 
_chemical_formula_sum             'C22 H44 N4 O5 Te2' 
_chemical_formula_weight          699.81 
 
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' 
 'Te'  'Te'  -0.5308   1.6751 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'tetragonal' 
_symmetry_space_group_name_H-M    'P 41 21 2' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-y+1/2, x+1/2, z+1/4' 
 '-x, -y, z+1/2' 
 'y+1/2, -x+1/2, z+3/4' 
 'x+1/2, -y+1/2, -z+3/4' 
 'y, x, -z' 
 '-x+1/2, y+1/2, -z+1/4' 
 '-y, -x, -z+1/2' 
 
_cell_length_a                    15.5941(7) 
_cell_length_b                    15.5941(7) 
_cell_length_c                    12.4867(8) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      3036.5(3) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     193(2) 
_cell_measurement_reflns_used     8192 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        'prism' 
_exptl_crystal_colour             'colourless'
_exptl_crystal_size_max           0.26 
_exptl_crystal_size_mid           0.23 
_exptl_crystal_size_min           0.15 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.531 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1392 
_exptl_absorpt_coefficient_mu     1.955 
_exptl_absorpt_correction_type    'empirical' 
_exptl_absorpt_correction_T_min   0.6304 
_exptl_absorpt_correction_T_max   0.7580 
_exptl_absorpt_process_details    
;SADABS, V 2.01, Software for Area-Detector Absorption
  Corrections; Bruker AXS Inc., Madison, WI, 2000. 
;  
_exptl_special_details 
; 
 ? 
; 
 
# EXPERIMENTAL DETAILS 

_diffrn_ambient_temperature       193(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus rotating anode'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         'no decay'
_diffrn_reflns_number             13101 
_diffrn_reflns_av_R_equivalents   0.0399
_diffrn_reflns_av_sigmaI/netI     0.0190 
_diffrn_reflns_limit_h_min        -12 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        14 
_diffrn_reflns_theta_min          1.85 
_diffrn_reflns_theta_max          24.71 
_reflns_number_total              2593 
_reflns_number_gt                 2410 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'Bruker SMART'
_computing_cell_refinement        'Bruker SAINT'
_computing_data_reduction         'Bruker SHELXTL'
_computing_structure_solution     'SIR-97'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'ORTEP-3 (1.05) in WinGX-1.62'
_computing_publication_material   'WinGX-1.62'

# REFINEMENT DATA
 
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ 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/[\s^2^(Fo^2^)+(0.0250P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.01(2) 
_refine_ls_number_reflns          2593 
_refine_ls_number_parameters      178 
_refine_ls_number_restraints      44 
_refine_ls_R_factor_all           0.0188 
_refine_ls_R_factor_gt            0.0164 
_refine_ls_wR_factor_ref          0.0413 
_refine_ls_wR_factor_gt           0.0405 
_refine_ls_goodness_of_fit_ref    1.024 
_refine_ls_restrained_S_all       1.022 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 


# ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

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 
Te1 Te 0.380993(9) 0.248016(11) 0.041491(13) 0.03481(6) Uani 1 1 d . . . 
O1 O 0.31073(14) 0.03641(13) 0.16748(17) 0.0520(6) Uani 1 1 d . . . 
O2 O 0.29835(12) 0.32649(12) 0.09620(15) 0.0392(4) Uani 1 1 d . . . 
N1 N 0.36600(16) 0.17490(15) 0.18026(18) 0.0442(6) Uani 1 1 d . . . 
N2 N 0.31574(14) 0.13582(13) 0.02493(17) 0.0352(5) Uani 1 1 d . . . 
C1 C 0.32907(18) 0.10736(19) 0.1316(2) 0.0402(7) Uani 1 1 d . . . 
C10 C 0.3814(2) 0.1843(2) 0.2970(3) 0.0539(8) Uani 1 1 d . . . 
C11 C 0.4435(3) 0.1157(2) 0.3347(3) 0.0738(11) Uani 1 1 d . . . 
H11A H 0.4207 0.0590 0.3166 0.089 Uiso 1 1 calc R . . 
H11B H 0.4508 0.1201 0.4125 0.089 Uiso 1 1 calc R . . 
H11C H 0.4990 0.1239 0.2995 0.089 Uiso 1 1 calc R . . 
C12 C 0.2974(3) 0.1787(4) 0.3572(3) 0.0939(15) Uani 1 1 d . . . 
H12A H 0.2586 0.2238 0.3320 0.113 Uiso 1 1 calc R . . 
H12B H 0.3080 0.1861 0.4340 0.113 Uiso 1 1 calc R . . 
H12C H 0.2712 0.1225 0.3446 0.113 Uiso 1 1 calc R . . 
C13 C 0.4211(3) 0.2721(2) 0.3140(3) 0.0859(14) Uani 1 1 d . . . 
H13A H 0.4740 0.2767 0.2719 0.103 Uiso 1 1 calc R . . 
H13B H 0.4344 0.2799 0.3901 0.103 Uiso 1 1 calc R . . 
H13C H 0.3806 0.3165 0.2909 0.103 Uiso 1 1 calc R . . 
C20 C 0.30551(18) 0.07358(17) -0.0662(2) 0.0368(6) Uani 1 1 d . . . 
C21 C 0.38383(18) 0.01592(18) -0.0733(2) 0.0434(7) Uani 1 1 d . . . 
H21A H 0.4350 0.0510 -0.0861 0.052 Uiso 1 1 calc R . . 
H21B H 0.3765 -0.0248 -0.1324 0.052 Uiso 1 1 calc R . . 
H21C H 0.3905 -0.0157 -0.0060 0.052 Uiso 1 1 calc R . . 
C22 C 0.22514(17) 0.0208(2) -0.0448(3) 0.0516(8) Uani 1 1 d . . . 
H22A H 0.2335 -0.0139 0.0198 0.062 Uiso 1 1 calc R . . 
H22B H 0.2141 -0.0169 -0.1060 0.062 Uiso 1 1 calc R . . 
H22C H 0.1762 0.0593 -0.0345 0.062 Uiso 1 1 calc R . . 
C23 C 0.2940(2) 0.12392(19) -0.1701(2) 0.0448(7) Uani 1 1 d . . . 
H23A H 0.2443 0.1620 -0.1636 0.054 Uiso 1 1 calc R . . 
H23B H 0.2848 0.0839 -0.2295 0.054 Uiso 1 1 calc R . . 
H23C H 0.3455 0.1582 -0.1839 0.054 Uiso 1 1 calc R . . 
O1S O 0.4138(4) 0.4733(5) -0.0528(6) 0.135(3) Uani 0.50 1 d PDU A -1 
C1S C 0.4959(8) 0.4486(11) -0.0854(11) 0.101(5) Uani 0.50 1 d PDU A -1 
H11S H 0.5193 0.4894 -0.1385 0.122 Uiso 0.50 1 calc PR A -1 
H12S H 0.4950 0.3905 -0.1172 0.122 Uiso 0.50 1 calc PR A -1 
C2S C 0.5498(9) 0.4499(9) 0.0196(11) 0.125(5) Uani 0.50 1 d PDU A -1 
H21S H 0.5615 0.3907 0.0445 0.150 Uiso 0.50 1 calc PR A -1 
H22S H 0.6051 0.4796 0.0080 0.150 Uiso 0.50 1 calc PR A -1 
C3S C 0.4984(10) 0.4953(12) 0.0965(12) 0.132(5) Uani 0.50 1 d PDU A -1 
H31S H 0.5323 0.5412 0.1314 0.158 Uiso 0.50 1 calc PR A -1 
H32S H 0.4767 0.4558 0.1523 0.158 Uiso 0.50 1 calc PR A -1 
C4S C 0.4230(7) 0.5341(9) 0.0307(11) 0.095(4) Uani 0.50 1 d PDU A -1 
H41S H 0.3702 0.5384 0.0743 0.114 Uiso 0.50 1 calc PR A -1 
H42S H 0.4378 0.5915 0.0023 0.114 Uiso 0.50 1 calc PR A -1 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Te1 0.02943(9) 0.03445(9) 0.04055(10) 0.00011(9) -0.00072(7) 0.00385(9) 
O1 0.0654(14) 0.0466(12) 0.0438(12) 0.0119(10) -0.0007(11) -0.0058(11) 
O2 0.0366(10) 0.0424(10) 0.0386(10) -0.0056(9) -0.0021(9) 0.0100(9) 
N1 0.0561(15) 0.0431(13) 0.0333(14) 0.0031(11) -0.0109(11) 0.0019(12) 
N2 0.0380(11) 0.0335(12) 0.0342(13) 0.0030(10) -0.0016(10) 0.0006(10) 
C1 0.0388(16) 0.0455(16) 0.0364(16) 0.0023(14) -0.0023(13) 0.0056(14) 
C10 0.0632(19) 0.0602(18) 0.0383(16) -0.0023(16) -0.0136(17) 0.0124(17) 
C11 0.087(3) 0.088(3) 0.046(2) -0.006(2) -0.0225(19) 0.032(2) 
C12 0.084(3) 0.152(5) 0.045(2) -0.022(3) 0.000(2) 0.024(3) 
C13 0.133(4) 0.065(3) 0.060(2) -0.0100(19) -0.044(3) -0.005(2) 
C20 0.0398(15) 0.0363(14) 0.0342(16) -0.0002(12) -0.0025(12) 0.0002(12) 
C21 0.0495(16) 0.0410(15) 0.0396(15) 0.0001(13) 0.0035(14) 0.0065(14) 
C22 0.0435(16) 0.0556(17) 0.056(2) -0.0004(17) -0.0052(15) -0.0101(14) 
C23 0.0575(17) 0.0418(15) 0.0350(15) -0.0018(13) -0.0063(14) 0.0028(15) 
O1S 0.064(3) 0.180(7) 0.161(7) -0.120(6) 0.041(4) -0.054(4) 
C1S 0.078(7) 0.121(12) 0.106(9) -0.053(9) 0.047(6) -0.019(8) 
C2S 0.105(7) 0.122(10) 0.147(11) -0.066(9) 0.015(7) 0.006(7) 
C3S 0.163(13) 0.136(11) 0.096(7) -0.042(8) 0.021(8) 0.023(10) 
C4S 0.068(6) 0.103(9) 0.113(10) -0.070(8) 0.023(6) -0.028(5) 
 
_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. 
; 

# MOLECULAR GEOMETRY
 
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 
Te1 O2 1.9040(17) . ? 
Te1 N2 2.034(2) . ? 
Te1 O2 2.0723(18) 6 ? 
Te1 N1 2.087(2) . ? 
Te1 C1 2.595(3) . ? 
Te1 Te1 3.1103(3) 6 ? 
O1 C1 1.227(3) . ? 
O2 Te1 2.0723(18) 6 ? 
N1 C1 1.345(4) . ? 
N1 C10 1.485(4) . ? 
N2 C1 1.420(3) . ? 
N2 C20 1.504(3) . ? 
C10 C12 1.513(5) . ? 
C10 C13 1.517(5) . ? 
C10 C11 1.517(4) . ? 
C20 C21 1.519(4) . ? 
C20 C22 1.523(4) . ? 
C20 C23 1.527(4) . ? 
O1S C1S 1.397(12) . ? 
O1S C4S 1.417(10) . ? 
C1S C2S 1.558(14) . ? 
C2S C3S 1.437(18) . ? 
C3S C4S 1.557(14) . ? 
 
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 Te1 N2 104.52(9) . . ? 
O2 Te1 O2 77.10(8) . 6 ? 
N2 Te1 O2 92.08(8) . 6 ? 
O2 Te1 N1 88.71(9) . . ? 
N2 Te1 N1 63.81(9) . . ? 
O2 Te1 N1 148.18(9) 6 . ? 
O2 Te1 C1 100.16(8) . . ? 
N2 Te1 C1 32.98(9) . . ? 
O2 Te1 C1 123.51(8) 6 . ? 
N1 Te1 C1 31.05(9) . . ? 
O2 Te1 Te1 40.51(5) . 6 ? 
N2 Te1 Te1 101.89(6) . 6 ? 
O2 Te1 Te1 36.65(5) 6 6 ? 
N1 Te1 Te1 124.48(7) . 6 ? 
C1 Te1 Te1 120.00(6) . 6 ? 
Te1 O2 Te1 102.84(8) . 6 ? 
C1 N1 C10 126.2(3) . . ? 
C1 N1 Te1 95.79(17) . . ? 
C10 N1 Te1 138.0(2) . . ? 
C1 N2 C20 121.6(2) . . ? 
C1 N2 Te1 95.76(17) . . ? 
C20 N2 Te1 133.23(17) . . ? 
O1 C1 N1 129.9(3) . . ? 
O1 C1 N2 126.2(3) . . ? 
N1 C1 N2 104.0(2) . . ? 
O1 C1 Te1 173.2(2) . . ? 
N1 C1 Te1 53.16(14) . . ? 
N2 C1 Te1 51.27(13) . . ? 
N1 C10 C12 110.0(3) . . ? 
N1 C10 C13 107.0(3) . . ? 
C12 C10 C13 109.6(3) . . ? 
N1 C10 C11 109.8(3) . . ? 
C12 C10 C11 110.9(3) . . ? 
C13 C10 C11 109.4(3) . . ? 
N2 C20 C21 109.9(2) . . ? 
N2 C20 C22 107.7(2) . . ? 
C21 C20 C22 110.6(2) . . ? 
N2 C20 C23 108.9(2) . . ? 
C21 C20 C23 110.4(2) . . ? 
C22 C20 C23 109.3(2) . . ? 
C1S O1S C4S 107.8(8) . . ? 
O1S C1S C2S 104.2(10) . . ? 
C3S C2S C1S 105.6(8) . . ? 
C2S C3S C4S 105.0(9) . . ? 
O1S C4S C3S 101.8(10) . . ? 
 
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 
N2 Te1 O2 Te1 -91.41(10) . . . 6 ? 
O2 Te1 O2 Te1 -2.61(11) 6 . . 6 ? 
N1 Te1 O2 Te1 -153.90(10) . . . 6 ? 
C1 Te1 O2 Te1 -124.90(9) . . . 6 ? 
O2 Te1 N1 C1 112.32(18) . . . . ? 
N2 Te1 N1 C1 5.43(16) . . . . ? 
O2 Te1 N1 C1 49.7(3) 6 . . . ? 
Te1 Te1 N1 C1 92.03(17) 6 . . . ? 
O2 Te1 N1 C10 -64.4(3) . . . . ? 
N2 Te1 N1 C10 -171.3(3) . . . . ? 
O2 Te1 N1 C10 -127.0(3) 6 . . . ? 
C1 Te1 N1 C10 -176.7(4) . . . . ? 
Te1 Te1 N1 C10 -84.7(3) 6 . . . ? 
O2 Te1 N2 C1 -86.32(16) . . . . ? 
O2 Te1 N2 C1 -163.53(16) 6 . . . ? 
N1 Te1 N2 C1 -5.14(15) . . . . ? 
Te1 Te1 N2 C1 -127.90(15) 6 . . . ? 
O2 Te1 N2 C20 128.9(2) . . . . ? 
O2 Te1 N2 C20 51.7(2) 6 . . . ? 
N1 Te1 N2 C20 -149.9(3) . . . . ? 
C1 Te1 N2 C20 -144.8(3) . . . . ? 
Te1 Te1 N2 C20 87.3(2) 6 . . . ? 
C10 N1 C1 O1 -10.5(5) . . . . ? 
Te1 N1 C1 O1 172.2(3) . . . . ? 
C10 N1 C1 N2 170.1(3) . . . . ? 
Te1 N1 C1 N2 -7.2(2) . . . . ? 
C10 N1 C1 Te1 177.3(3) . . . . ? 
C20 N2 C1 O1 -21.6(4) . . . . ? 
Te1 N2 C1 O1 -172.0(3) . . . . ? 
C20 N2 C1 N1 157.9(2) . . . . ? 
Te1 N2 C1 N1 7.4(2) . . . . ? 
C20 N2 C1 Te1 150.5(3) . . . . ? 
O2 Te1 C1 N1 -69.98(18) . . . . ? 
N2 Te1 C1 N1 -171.0(3) . . . . ? 
O2 Te1 C1 N1 -151.16(16) 6 . . . ? 
Te1 Te1 C1 N1 -107.95(16) 6 . . . ? 
O2 Te1 C1 N2 101.04(16) . . . . ? 
O2 Te1 C1 N2 19.87(19) 6 . . . ? 
N1 Te1 C1 N2 171.0(3) . . . . ? 
Te1 Te1 C1 N2 63.08(17) 6 . . . ? 
C1 N1 C10 C12 -58.8(4) . . . . ? 
Te1 N1 C10 C12 117.2(4) . . . . ? 
C1 N1 C10 C13 -177.8(3) . . . . ? 
Te1 N1 C10 C13 -1.9(5) . . . . ? 
C1 N1 C10 C11 63.5(4) . . . . ? 
Te1 N1 C10 C11 -120.5(3) . . . . ? 
C1 N2 C20 C21 -57.8(3) . . . . ? 
Te1 N2 C20 C21 79.9(3) . . . . ? 
C1 N2 C20 C22 62.7(3) . . . . ? 
Te1 N2 C20 C22 -159.6(2) . . . . ? 
C1 N2 C20 C23 -178.9(2) . . . . ? 
Te1 N2 C20 C23 -41.2(3) . . . . ? 
C4S O1S C1S C2S 34.8(13) . . . . ? 
O1S C1S C2S C3S -13.9(18) . . . . ? 
C1S C2S C3S C4S -9.9(19) . . . . ? 
C1S O1S C4S C3S -40.6(12) . . . . ? 
C2S C3S C4S O1S 30.0(17) . . . . ? 
 
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              24.71 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.143 
_refine_diff_density_min   -0.222 
_refine_diff_density_rms    0.042