Studies on tellurium-containing heterocycles. Part 18. Preparation and structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts
Sashida, Haruki; Ohyanagi, Kazuo; Minoura, Mao; Akiba, Kin-ya; Journal of the Chemical Society, Perkin Transactions 1  (2002) 606–612; doi:10.1039/b111045b

data_7243860
_publ_section_title
;
 Studies on tellurium-containing heterocycles. Part 18. Preparation and
 structure of 2-benzotelluropyrylium salts and 2-benzoselenopyrylium salts
;
_journal_coden_ASTM              JCSPCE
_journal_issue                   5
_journal_name_full
;
 Journal of the Chemical Society, Perkin Transactions 1
;
_journal_page_first              606
_journal_page_last               612
_journal_paper_doi               10.1039/b111045b
_journal_year                    2002
_chemical_formula_moiety         'C13 H15 B F4 Se'
_chemical_formula_sum            'C13 H15 B F4 Se'
_chemical_formula_weight         337.03
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_audit_creation_date             'Tue Nov 13 19:06:10 2001'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8420(4)
_cell_length_b                   6.7860(1)
_cell_length_c                   14.2960(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    273.2
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     1342.85(6)
_computing_cell_refinement       DENZO
_computing_data_collection       DENZO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9963
_diffrn_measured_fraction_theta_max 0.9963
_diffrn_measurement_device_type  'MAC Science DIP2030 Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            1875
_diffrn_reflns_theta_full        27.25
_diffrn_reflns_theta_max         27.25
_exptl_absorpt_coefficient_mu    2.824
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.32
_refine_diff_density_min         -1.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.475
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1528
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.0012
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00533|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1083
_reflns_number_gt                1528
_reflns_number_total             1625
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b111045b.txt
_cod_data_source_block           MMDIP151SePy992190
_cod_original_cell_volume        1342.85(5)
_cod_database_code               7243860