Double-layered polytypic structure of the E form of octadecanoic acid, C~18~H~36~O~2~
Kaneko, F.; Sakashita, H.; Kobayashi, M.; Kitagawa, Y.; Matsuura, Y.; Suzuki, M.; Acta Crystallographica Section C 50 (1994) 247–250; doi:10.1107/S0108270193007243

data_2009487
_publ_section_title
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 Double-layered polytypic structure of the E form of octadecanoic acid,
 C~18~H~36~O~2~
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_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              247
_journal_page_last               250
_journal_paper_doi               10.1107/S0108270193007243
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C18 H36 O2'
_chemical_formula_weight         284.48
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   7.3590(10)
_cell_length_b                   5.6090(10)
_cell_length_c                   88.410(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    286
_cell_measurement_theta_max      50
_cell_measurement_theta_min      21
_cell_volume                     3649.3(9)
_diffrn_measurement_device       'Rigaku AFC-5 four-circle'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  .036
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       102
_diffrn_reflns_limit_l_min       -102
_diffrn_reflns_number            13184
_diffrn_reflns_theta_max         125
_diffrn_standards_decay_%        3
_diffrn_standards_interval_time  50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .466
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.04
_exptl_crystal_density_meas      1.02
_exptl_crystal_density_method    'Sink and float method'
_exptl_crystal_description       plate
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          .80
_exptl_crystal_size_min          .05
_refine_diff_density_max         .16
_refine_diff_density_min         -.08
_refine_ls_goodness_of_fit_obs   1.99
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     325
_refine_ls_number_reflns         2392
_refine_ls_R_factor_obs          .064
_refine_ls_shift/esd_max         .016
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .095
_reflns_number_observed          2392
_reflns_number_total             2934
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            oh1038.cif
_cod_data_source_block           oh1038a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.001F^2^]' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3649.0(8)
_cod_database_code               2009487