Chirality Exchange from sp3 Central Chirality to Axial Chirality: Benzannulation of Optically Active Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral α-Arylnaphthalenes
Yoshinori Nishii; Kazunori Wakasugi; Keisuke Koga; Yoo Tanabe; Journal of the American Chemical Society 126 (2004) 5358–5359; doi:10.1021/ja0319442

data_4112526
_publ_section_title
;
 Chirality Exchange from sp3 Central Chirality to Axial Chirality:
 Benzannulation of Optically Active
 Diaryl-2,2-dichlorocyclopropylmethanols to Axially Chiral
 \a-Arylnaphthalenes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5358
_journal_page_last               5359
_journal_paper_doi               10.1021/ja0319442
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'C18 H18 Cl2 O '
_chemical_formula_sum            'C18 H18 Cl2 O'
_chemical_formula_weight         321.25
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2002-05-28
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                97.664(7)
_cell_angle_beta                 107.021(8)
_cell_angle_gamma                109.557(3)
_cell_formula_units_Z            2
_cell_length_a                   8.0430(8)
_cell_length_b                   8.818(1)
_cell_length_c                   12.961(2)
_cell_measurement_reflns_used    1732
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      49.8
_cell_measurement_theta_min      5.8
_cell_volume                     800.49(18)
_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 0.9832
_diffrn_measured_fraction_theta_max 0.9832
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6900
_diffrn_reflns_theta_full        50.43
_diffrn_reflns_theta_max         50.43
_exptl_absorpt_coefficient_mu    3.602
_exptl_absorpt_correction_T_max  0.487
_exptl_absorpt_correction_T_min  0.418
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_description       block
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.33
_refine_ls_extinction_coef       14.1(9)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.880
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     212
_refine_ls_number_reflns         1510
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.010Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0950
_reflns_number_gt                1352
_reflns_number_total             1638
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0319442si20040331_045721.cif
_cod_data_source_block           '_KAW2079__________________'
_cod_original_cell_volume        800.5(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C18 H18 Cl2 O '
_cod_database_code               4112526