Palladium-Catalyzed Asymmetric Arylation, Vinylation, and Allenylation of tert-Cyclobutanols via Enantioselective C-C Bond Cleavage
Satoshi Matsumura; Yasunari Maeda; Takahiro Nishimura; Sakae Uemura; Journal of the American Chemical Society 125 (2003) 8862–8869; doi:10.1021/ja035293l

data_4113952
_publ_section_title
;
 Palladium-Catalyzed Asymmetric Arylation, Vinylation, and Allenylation of
 tert-Cyclobutanols via Enantioselective C-C Bond Cleavage
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8862
_journal_page_last               8869
_journal_paper_doi               10.1021/ja035293l
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C24 H21 Cl O2 '
_chemical_formula_sum            'C24 H21 Cl O2'
_chemical_formula_weight         376.88
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.7818(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   20.8120(6)
_cell_length_b                   5.8624(2)
_cell_length_c                   33.049(1)
_cell_measurement_reflns_used    16046
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      1.3
_cell_volume                     3947.3(2)
_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    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9589
_diffrn_measured_fraction_theta_max 0.9208
_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  0.035
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            13446
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.209
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.851
_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    1.268
_exptl_crystal_description       block
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.49
_refine_diff_density_min         -3.01
_refine_ls_extinction_coef       204.2(7)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.854
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     266
_refine_ls_number_reflns         2290
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          9.7810
_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                2290
_reflns_number_total             4580
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja035293lsi20030324_031903.cif
_cod_data_source_block           '_matusmura________________'
_cod_original_formula_sum        'C24 H21 Cl O2 '
_cod_database_code               4113952