Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium Ylides via Metal-Enolate Intermediates
Yuichi Sawada; Takashi Mori; Akira Oku; Journal of Organic Chemistry 68 (2003) 10040–10045; doi:10.1021/jo035272+

data_4022575
_publ_section_title
;
 Carbon-Carbon Bond Formation Reaction of Ethereal Oxonium
 Ylides via Metal-Enolate Intermediates
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10040
_journal_page_last               10045
_journal_paper_doi               10.1021/jo035272+
_journal_volume                  68
_journal_year                    2003
_chemical_formula_moiety         'C14 H16 O4 '
_chemical_formula_sum            'C14 H16 O4'
_chemical_formula_weight         248.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2003-05-29
_audit_creation_method           'by CrystalStructure v3.10'
_cell_angle_alpha                90
_cell_angle_beta                 99.738(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.567(3)
_cell_length_b                   6.2282(8)
_cell_length_c                   9.5081(8)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    198.1
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      25.2
_cell_volume                     1258.8(2)
_computing_cell_refinement       WinAFC
_computing_data_collection       WinAFC
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.10'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9996
_diffrn_measured_fraction_theta_max 0.9996
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4041
_diffrn_reflns_theta_full        66.65
_diffrn_reflns_theta_max         66.65
_diffrn_standards_decay_%        -1.01
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             528.00
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.24
_refine_diff_density_min         -0.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     229
_refine_ls_number_reflns         2232
_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0764P)^2^+0.6283P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                2074
_reflns_number_total             2232
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo035272+si20030831_051723.cif
_cod_data_source_block           '_YS-481E_Sawada'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C14 H16 O4 '
_cod_database_code               4022575