Bottom-Up Synthesis of Optically Active Oligonaphthalenes: Three Different Pathways for Controlling Axial Chirality
Kazunori Tsubaki; Hiroyuki Tanaka; Kazuto Takaishi; Masaya Miura; Hiroshi Morikawa; Takumi Furuta; Kiyoshi Tanaka; Kaoru Fuji; Takahiro Sasamori; Norihiro Tokitoh; Takeo Kawabata; Journal of Organic Chemistry 71 (2006) 6579–6587; doi:10.1021/jo060974v

data_4021903
_publ_contact_author_address
;
  Institute for Chemical Research, Kyoto University, 
    Gokasho, Uji, Kyoto 611-0011, Japan.
;
_publ_contact_author_email       tsubaki@fos.kuicr.kyoto-u.ac.jp
_publ_contact_author_fax         +81-774-38-3197
_publ_contact_author_name        'Kazunori Tsubaki'
_publ_contact_author_phone       +81-774-38-3191
_publ_section_title
;
 Bottom-Up Synthesis of Optically Active Oligonaphthalenes:
 Three Different Pathways for Controlling Axial Chirality
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6579
_journal_page_last               6587
_journal_paper_doi               10.1021/jo060974v
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C71 H72 Cl2 O8 '
_chemical_formula_sum            'C71 H72 Cl2 O8'
_chemical_formula_weight         1124.25
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2004-01-29
_audit_creation_method           'by CrystalStructure v3.5.1'
_cell_angle_alpha                90
_cell_angle_beta                 104.083(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.0546(10)
_cell_length_b                   23.673(2)
_cell_length_c                   14.153(2)
_cell_measurement_reflns_used    6514
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      2.3
_cell_volume                     2942.4(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.5.1'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9970
_diffrn_measured_fraction_theta_max 0.9107
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            66326
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         30.82
_exptl_absorpt_coefficient_mu    0.168
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1192.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.02
_refine_diff_density_min         -0.02
_refine_ls_extinction_coef       126.6(42)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     1016
_refine_ls_number_reflns         10765
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0028Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1460
_reflns_number_gt                10038
_reflns_number_total             15747
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo060974vsi20060512_103344.cif
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C71 H72 Cl2 O8 '
_cod_database_code               4021903