Synthesis of a Dialuminum-Substituted Silicotungstate and the Diastereoselective Cyclization of Citronellal Derivatives
Yuji Kikukawa; Syuhei Yamaguchi; Yoshinao Nakagawa; Kazuhiro Uehara; Sayaka Uchida; Kazuya Yamaguchi; Noritaka Mizuno; Journal of the American Chemical Society 130 (2008) 15872–15878; doi:10.1021/ja8014154

data_4108701
_publ_contact_author_email       tmizuno@mail.ecc.u-tokyo.ac.jp
_publ_contact_author_fax         +81-3-5841-7220
_publ_contact_author_name        'Professor Noritaka Mizuno'
_publ_contact_author_phone       +81-3-5841-7272
_publ_section_title
;
 Synthesis of a Dialuminum-Substituted Silicotungstate and the
 Diastereoselective Cyclization of Citronellal Derivatives
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15872
_journal_page_last               15878
_journal_paper_doi               10.1021/ja8014154
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C58 H140 Al2 N8 O47 Si W10 '
_chemical_formula_sum            'C58 H140 Al2 N8 O47 Si W10'
_chemical_formula_weight         3622.32
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             2007-11-30
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.3774(3)
_cell_length_b                   24.1261(5)
_cell_length_c                   34.2459(7)
_cell_measurement_temperature    153.2
_cell_volume                     11052.7(4)
_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    SHELXS97
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15899
_diffrn_reflns_theta_full        29.14
_diffrn_reflns_theta_max         29.14
_exptl_absorpt_coefficient_mu    10.479
_exptl_absorpt_correction_T_max  0.6227
_exptl_absorpt_correction_T_min  0.2287
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.177
_exptl_crystal_description       platelet
_exptl_crystal_F_000             6800.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.07
_refine_diff_density_min         -3.79
_refine_ls_extinction_coef       0.0000000
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_number_parameters     572
_refine_ls_number_reflns         15899
_refine_ls_R_factor_gt           0.0691
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1222P)^2^+155.5337P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2086
_reflns_number_gt                12039
_reflns_number_total             15899
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja8014154_si_002.cif
_cod_data_source_block           '_Template_texray.inf'
_cod_original_formula_sum        'C58 H140 Al2 N8 O47 Si W10 '
_cod_database_code               4108701