Synthesis, characterization and oxidizing properties of a diorgano tellurone carrying bulky aromatic substituents.
Oba, Makoto; Okada, Yasunori; Nishiyama, Kozaburo; Shimada, Shigeru; Ando, Wataru; Chemical communications (Cambridge, England)  (2008) 5378–5380; doi:10.1039/b811112j

data_7103482
_publ_section_title
;
 Synthesis, characterization and oxidizing properties of a diorgano
 tellurone carrying bulky aromatic substituents.
;
_journal_issue                   42
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5378
_journal_page_last               5380
_journal_paper_doi               10.1039/b811112j
_journal_year                    2008
_chemical_formula_moiety         'C30 H46 O2 Te, H2 O'
_chemical_formula_sum            'C30 H48 O3 Te'
_chemical_formula_weight         584.31
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.4460(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   24.4967(19)
_cell_length_b                   16.1761(12)
_cell_length_c                   16.3546(12)
_cell_measurement_reflns_used    3315
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      24.702
_cell_measurement_theta_min      2.247
_cell_volume                     6032.0(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean '8.366 [pixels/mm]'
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18070
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.25
_exptl_absorpt_coefficient_mu    1.012
_exptl_absorpt_correction_T_max  0.9234
_exptl_absorpt_correction_T_min  0.8548
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS; Sheldrick 1996
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2432.00
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.30
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     362
_refine_ls_number_reflns         6755
_refine_ls_R_factor_all          0.0756
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.5000\s(Fo^2^) + 0.0800]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0911
_reflns_number_gt                3931
_reflns_number_total             6755
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b811112j.txt
_cod_data_source_block           General
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'difmap & geom' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
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_cod_database_code               7103482