1β-(4-Methoxybenzyl)-8α-vinyl-7-oxabicyclo[4.3.0]nonan-6β-ol
Gi, H.-J.; Wang, T.; Zhao, K.; Acta Crystallographica Section C 52 (1996) 186–187; doi:10.1107/S0108270195008225

data_2004372
_publ_section_title
;
 1\b-(4-Methoxybenzyl)-8\a-vinyl-7-oxabicyclo[4.3.0]nonan-6\b-ol
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              186
_journal_page_last               187
_journal_paper_doi               10.1107/S0108270195008225
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C18 H24 O3'
_chemical_formula_weight         288.39
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 104.19(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.525(3)
_cell_length_b                   8.490(2)
_cell_length_c                   15.697(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299
_cell_measurement_theta_max      14.2
_cell_measurement_theta_min      8.1
_cell_volume                     1618.2(9)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3166
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.0738
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.24
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   5.7
_refine_ls_hydrogen_treatment    'H atoms refined isotropically'
_refine_ls_number_parameters     286
_refine_ls_number_reflns         1546
_refine_ls_R_factor_obs          0.057
_refine_ls_shift/esd_max         0.64
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1 for all observed reflections'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.061
_reflns_number_observed          1546
_reflns_number_total             2936
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            cr1175.cif
_cod_data_source_block           cr1175a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1 for all observed
reflections' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1 for all observed reflections'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1618
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2004372