Ruthenium-Catalyzed Cyclopropanation of Alkenes Using Propargylic Carboxylates as Precursors of Vinylcarbenoids
Koji Miki; Kouichi Ohe; Sakae Uemura; Journal of Organic Chemistry 68 (2003) 8505–8513; doi:10.1021/jo034841a

data_4022534
_publ_section_title
;
 Ruthenium-Catalyzed Cyclopropanation of Alkenes Using
 Propargylic Carboxylates as Precursors of Vinylcarbenoids
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8505
_journal_page_last               8513
_journal_paper_doi               10.1021/jo034841a
_journal_volume                  68
_journal_year                    2003
_chemical_formula_moiety         'C19 H18 O2 '
_chemical_formula_sum            'C19 H18 O2'
_chemical_formula_weight         278.35
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2003-06-19
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                90
_cell_angle_beta                 97.600(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1159(7)
_cell_length_b                   9.330(1)
_cell_length_c                   10.3661(8)
_cell_measurement_reflns_used    7128
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.2
_cell_measurement_theta_min      2.0
_cell_volume                     778.0(1)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9957
_diffrn_measured_fraction_theta_max 0.9957
_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  0.022
_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       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6763
_diffrn_reflns_theta_full        27.33
_diffrn_reflns_theta_max         27.33
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.789
_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    1.188
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   3.433
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     253
_refine_ls_number_reflns         1649
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.0840
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0480
_reflns_number_gt                1649
_reflns_number_total             1828
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo034841asi20030619_032734.cif
_cod_data_source_block           '_miki0109_________________'
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C19 H18 O2 '
_cod_database_code               4022534