Racemic but tropos (chirally flexible) BIPHEP ligands for Rh(I)-complexes: highly enantioselective ene-type cyclization of 1,6-enynes.
Mikami, Koichi; Kataoka, Shohei; Yusa, Yukinori; Aikawa, Kohsuke; Organic letters 6 (2004) 3699–3701; doi:10.1021/ol048604l

data_1507011
_publ_section_title
;
 Racemic but tropos (chirally flexible) BIPHEP ligands for
 Rh(I)-complexes: highly enantioselective ene-type cyclization of
 1,6-enynes.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              3699
_journal_page_last               3701
_journal_paper_doi               10.1021/ol048604l
_journal_volume                  6
_journal_year                    2004
_chemical_formula_moiety         'C44 H44 Cl2 F6 P2 Rh Sb '
_chemical_formula_sum            'C44 H44 Cl2 F6 P2 Rh Sb'
_chemical_formula_weight         1044.33
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.789(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.065(4)
_cell_length_b                   13.737(4)
_cell_length_c                   21.407(6)
_cell_measurement_reflns_used    16074
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.4
_cell_volume                     4098(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.16'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.8947
_diffrn_measured_fraction_theta_max 0.8947
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            36865
_diffrn_reflns_theta_full        31.37
_diffrn_reflns_theta_max         31.37
_exptl_absorpt_coefficient_mu    1.328
_exptl_absorpt_correction_T_max  0.767
_exptl_absorpt_correction_T_min  0.554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2088.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.09
_refine_diff_density_min         -0.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     543
_refine_ls_number_reflns         11726
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.0400
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0000Fo^2^ + 2.0000\s^2^(Fo) + 0.3790]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0810
_reflns_number_gt                11726
_reflns_number_total             12097
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ol048604lsi20040721_120553.cif
_cod_data_source_block           '__biphepRh'
_cod_original_cell_volume        4097.9(21)
_cod_original_formula_sum        'C44 H44 Cl2 F6 P2 Rh Sb '
_cod_database_code               1507011