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_4022533
_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         'C18 H22 O2 '
_chemical_formula_sum            'C18 H22 O2'
_chemical_formula_weight         270.37
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2003-06-19
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                90
_cell_angle_beta                 106.929(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.6250(8)
_cell_length_b                   5.9354(3)
_cell_length_c                   17.382(1)
_cell_measurement_reflns_used    10445
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     1542.2(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 0.9279
_diffrn_measured_fraction_theta_max 0.9279
_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  0.025
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12793
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_T_max  0.971
_exptl_absorpt_correction_T_min  0.853
_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    1.164
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          1.50
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.15
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.719
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     260
_refine_ls_number_reflns         2004
_refine_ls_R_factor_gt           0.0460
_refine_ls_shift/su_max          0.0560
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0430
_reflns_number_gt                2004
_reflns_number_total             3616
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo034841asi20030619_032651.cif
_cod_data_source_block           '_miki1225_________________'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C18 H22 O2 '
_cod_database_code               4022533