Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric diorganotellurone without cocrystallized solvents and without stabilizing intramolecular contacts
Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto; Acta Crystallographica Section C 78 (2022) –; doi:10.1107/S2053229622000353

data_2022516
_publ_section_title
;
 Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric
 diorganotellurone without cocrystallized solvents and without stabilizing
 intramolecular contacts
;
_journal_coeditor_code           EQ3003
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622000353
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac          'C24 H34 O2 Te'
_chemical_formula_moiety         'C24 H34 O2 Te'
_chemical_formula_sum            'C24 H34 O2 Te'
_chemical_formula_weight         482.11
_chemical_name_systematic
;
Bis(2,6-diisopropylphenyl) tellurone
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
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_cell_angle_gamma                90
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_cell_length_b                   14.2339(5)
_cell_length_c                   17.7479(5)
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_cell_measurement_temperature    108
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_computing_cell_refinement
;
CrystalClear-SM Expert (Rigaku, 2011)
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CrystalClear-SM Expert (Rigaku, 2011)
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CrystalClear-SM Expert (Rigaku, 2011)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2018 (Sheldrick, 2015b)
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SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      108.0
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from \w-scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
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_diffrn_reflns_limit_l_min       -22
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_diffrn_reflns_theta_max         29.279
_diffrn_reflns_theta_min         2.604
_exptl_absorpt_coefficient_mu    1.272
_exptl_absorpt_correction_T_max  1.00000
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;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            'clear light colourless'
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_exptl_crystal_size_mid          0.25
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_refine_diff_density_max         0.542
_refine_diff_density_min         -1.040
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     127
_refine_ls_number_reflns         2971
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0248
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0090P)^2^+2.7225P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0548
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_min   0.701
_shelx_estimated_absorpt_t_max   0.785
_shelx_hkl_checksum              9525
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