Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using Vinyl 2-Pyrimidyl Sulfide as a Platform
Kenichiro Itami; Masahiro Mineno; Nobuhiro Muraoka; Jun-ichi Yoshida; Journal of the American Chemical Society 126 (2004) 11778–11779; doi:10.1021/ja045858t

data_4112956
_publ_section_title
;
 Sequential Assembly Strategy for Tetrasubstituted Olefin Synthesis Using
 Vinyl 2-Pyrimidyl Sulfide as a Platform
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11778
_journal_page_last               11779
_journal_paper_doi               10.1021/ja045858t
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C20 H16 O3 S '
_chemical_formula_sum            'C20 H16 O3 S'
_chemical_formula_weight         336.40
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.691(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8578(2)
_cell_length_b                   8.8632(2)
_cell_length_c                   19.536(2)
_cell_measurement_reflns_used    9739
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.3
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_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
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_computing_publication_material  'CrystalStructure Ver. 2.00'
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_diffrn_measured_fraction_theta_max 0.9322
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.129
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10486
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.204
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.63
_refine_diff_density_min         -0.63
_refine_ls_extinction_coef       198.1(4)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   2.593
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     234
_refine_ls_number_reflns         1025
_refine_ls_R_factor_gt           0.1150
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
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_reflns_number_gt                1025
_reflns_number_total             3886
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja045858tsi20040709_082832.cif
_cod_data_source_block           '_mineno7__________________'
_cod_original_cell_volume        1706.8(1)
_cod_original_formula_sum        'C20 H16 O3 S '
_cod_database_code               4112956