Rhodium-Catalyzed Asymmetric Synthesis of Indanones: Development of a New "Axially Chiral" Bisphosphine Ligand
Ryo Shintani; Keiji Yashio; Tomoaki Nakamura; Kazuhiro Okamoto; Toyoshi Shimada; Tamio Hayashi; Journal of the American Chemical Society 128 (2006) 2772–2773; doi:10.1021/ja056584s

data_4110424
_publ_section_title
;
 Rhodium-Catalyzed Asymmetric Synthesis of Indanones: Development of a New
 "Axially Chiral" Bisphosphine Ligand
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2772
_journal_page_last               2773
_journal_paper_doi               10.1021/ja056584s
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C70 H56 F6 N2 O2 P3 Rh '
_chemical_formula_sum            'C70 H56 F6 N2 O2 P3 Rh'
_chemical_formula_weight         1267.04
_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'
_cell_angle_alpha                90
_cell_angle_beta                 94.94(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.64(3)
_cell_length_b                   21.09(3)
_cell_length_c                   11.95(2)
_cell_measurement_reflns_used    14801
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      3.0
_cell_volume                     2923(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9774
_diffrn_measured_fraction_theta_max 0.9774
_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  0.164
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
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_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_exptl_absorpt_coefficient_mu    0.442
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_description       prism
_exptl_crystal_F_000             1300.00
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.41
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.847
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     758
_refine_ls_number_reflns         12810
_refine_ls_R_factor_gt           0.0840
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2320
_reflns_number_gt                7058
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           '_0730yuki'
_cod_original_cell_volume        2921(8)
_cod_original_formula_sum        'C70 H56 F6 N2 O2 P3 Rh '
_cod_database_code               4110424