Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate
Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa; Journal of the American Chemical Society 133 (2011) 1754–1756; doi:10.1021/ja1092375

data_4105627
_publ_contact_author_address
;
   Institute for Materials Chemistry and Engineering,
   Kyushu University,
   Kasuga-koen 6-1, Kasuga, Fukuoka
   816-8580 (Japan)
;
_publ_contact_author_email       ktomooka@cm.kyushu-u.ac.jp
_publ_contact_author_fax         81(92)5837810
_publ_contact_author_name        'Katsuhiko Tomooka'
_publ_contact_author_phone       81(92)5837806
_publ_section_title
;
 Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1754
_journal_page_last               1756
_journal_paper_doi               10.1021/ja1092375
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C24 H29 Cl2 N O2 Pt '
_chemical_formula_sum            'C24 H29 Cl2 N O2 Pt'
_chemical_formula_weight         629.49
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             2009-10-31
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 114.7312(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   18.932(4)
_cell_length_b                   6.7865(13)
_cell_length_c                   20.175(4)
_cell_measurement_reflns_used    6787
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2354.4(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123.1
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.086
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17608
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    6.183
_exptl_absorpt_correction_T_max  0.290
_exptl_absorpt_correction_T_min  0.192
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_description       prism
_exptl_crystal_F_000             1232.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.32
_refine_diff_density_min         -2.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     272
_refine_ls_number_reflns         5159
_refine_ls_R_factor_gt           0.0495
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0702P)^2^+6.1928P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1314
_reflns_number_gt                4587
_reflns_number_total             5159
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja1092375_si_005.cif
_cod_data_source_block           3d-Pt
_cod_original_cell_volume        2354.4(9)
_cod_original_formula_sum        'C24 H29 Cl2 N O2 Pt '
_cod_database_code               4105627