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_4022576
_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         'C17 H24 O5 '
_chemical_formula_sum            'C17 H24 O5'
_chemical_formula_weight         308.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2003-05-29
_audit_creation_method           'by CrystalStructure v3.10'
_cell_angle_alpha                99.65(1)
_cell_angle_beta                 99.20(1)
_cell_angle_gamma                99.13(1)
_cell_formula_units_Z            2
_cell_length_a                   9.275(1)
_cell_length_b                   10.594(2)
_cell_length_c                   8.616(1)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    198.1
_cell_measurement_theta_max      29.1
_cell_measurement_theta_min      25.1
_cell_volume                     808.7(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 0.9846
_diffrn_measured_fraction_theta_max 0.9846
_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  0.028
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            3902
_diffrn_reflns_theta_full        66.71
_diffrn_reflns_theta_max         66.71
_diffrn_standards_decay_%        0.47
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             332.00
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.16
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     295
_refine_ls_number_reflns         2815
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0579P)^2^+0.2934P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.1110
_reflns_number_gt                2574
_reflns_number_total             2815
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo035272+si20030831_051803.cif
_cod_data_source_block           '_YS-483C1_Sawada'
_cod_original_formula_sum        'C17 H24 O5 '
_cod_database_code               4022576