Construction of the Adamantane Core of Plukenetione-Type Polycyclic Polyprenylated Acylphloroglucinols
Ryukichi Takagi; Yuta Inoue; Katsuo Ohkata; Journal of Organic Chemistry 73 (2008) 9320–9325; doi:10.1021/jo801595y

data_4023899
_publ_contact_author_address
;
    ENTER ADDRESS
;
_publ_contact_author_email       ' rtakagi@hiroshima-u.ac.jp '
_publ_contact_author_fax         ' +81-82-424-0747 '
_publ_contact_author_name        ' Ryukichi Takagi '
_publ_contact_author_phone       ' +81-82-424-7434 '
_publ_section_title
;
 Construction of the Adamantane Core of Plukenetione-Type
 Polycyclic Polyprenylated Acylphloroglucinols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9320
_journal_page_last               9325
_journal_paper_doi               10.1021/jo801595y
_journal_volume                  73
_journal_year                    2008
_chemical_formula_moiety         'C15 H22 O3 '
_chemical_formula_sum            'C15 H22 O3'
_chemical_formula_weight         250.34
_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             'Wed May  2 17:24:20 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                111.615(3)
_cell_angle_beta                 99.645(2)
_cell_angle_gamma                102.506(2)
_cell_formula_units_Z            4
_cell_length_a                   8.3450(4)
_cell_length_b                   13.1120(5)
_cell_length_c                   14.2230(6)
_cell_measurement_temperature    571.2
_cell_volume                     1359.1(1)
_computing_cell_refinement       Scalepack
_computing_data_collection       Denzo
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.8524
_diffrn_measured_fraction_theta_max 0.8524
_diffrn_measurement_device_type  MacScienceDIPS2030
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5569
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.223
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.51
_refine_diff_density_min         -0.34
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.885
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5275
_refine_ls_R_factor_gt           0.1173
_refine_ls_shift/su_max          0.0113
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.20000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.4156
_reflns_number_gt                4287
_reflns_number_total             5569
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo801595y_si_002.cif
_cod_data_source_block           adamantanol
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C15 H22 O3 '
_cod_database_code               4023899