Syntheses of the stereoisomers of neolignans morinol C and D
Yamauchi, Satoshi; Uno, Hidemitsu; Organic & Biomolecular Chemistry 1 (2003) 1323–; doi:10.1039/b211801g

data_7150498
_publ_section_title
;
 Syntheses of the stereoisomers of neolignans morinol C and D
;
_journal_issue                   8
_journal_name_full               'Organic &amp;  Biomolecular Chemistry'
_journal_page_first              1323
_journal_paper_doi               10.1039/b211801g
_journal_volume                  1
_journal_year                    2003
_chemical_formula_moiety         'C33 H32 O7'
_chemical_formula_sum            'C33 H32 O7'
_chemical_formula_weight         540.61
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             'Sat Mar 9 10:07:39 2002'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                82.32(2)
_cell_angle_beta                 88.22(2)
_cell_angle_gamma                66.69(2)
_cell_formula_units_Z            2
_cell_length_a                   8.962(2)
_cell_length_b                   8.981(2)
_cell_length_c                   19.587(4)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      12.9
_cell_measurement_theta_min      11.1
_cell_volume                     1434.4(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_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 1.0669
_diffrn_measured_fraction_theta_max 1.0669
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       w-2q
_diffrn_radiation_type           'Mo Ka'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7037
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_standards_decay_%        0.93
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.982
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.130
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.56
_refine_ls_abs_structure_details
;
This compound was prepared from the pentose absolute 
stereochemistry of which
was known.
;
_refine_ls_extinction_coef       0.023(3)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     732
_refine_ls_number_reflns         6970
_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1486
_reflns_number_gt                4362
_reflns_number_total             7033
_reflns_threshold_expression     F^2^>2.0s(F^2^)
_cod_data_source_file            b211801g.txt
_cod_data_source_block           Butyrolactone
_cod_original_cell_volume        1434.5(6)
_cod_original_sg_symbol_H-M      'P 1         '
_cod_database_code               7150498