Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift
Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J.; Acta Crystallographica Section C 50 (1994) 2085–2087; doi:10.1107/S0108270194006074

data_2010303
_publ_section_title
;
 Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2085
_journal_page_last               2087
_journal_paper_doi               10.1107/S0108270194006074
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C11 H16 O2'
_chemical_formula_weight         180
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 86.42(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.193(2)
_cell_length_b                   10.609(2)
_cell_length_c                   15.492(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    291
_cell_measurement_theta_max      12
_cell_measurement_theta_min      10
_cell_volume                     1015.9(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.70926
_diffrn_reflns_av_R_equivalents  0.03
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            1604
_diffrn_reflns_theta_max         22.0
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.11
_exptl_crystal_description       Tablet
_refine_diff_density_max         0.107
_refine_diff_density_min         -0.154
_refine_ls_extinction_coef       none
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_refine_ls_goodness_of_fit_obs   0.241
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     166
_refine_ls_number_reflns         708
_refine_ls_R_factor_obs          0.0407
_refine_ls_shift/esd_max         '0.147 (U~23~ of C9)'
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w=0.02/[\s^2^(F~o~) +0.01995F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0429
_reflns_number_observed          708
_reflns_number_total             1457
_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            hu1124.cif
_cod_data_source_block           hu1124a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=0.02/[\s^2^(F~o~)
+0.01995F~o~^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=0.02/[\s^2^(F~o~) +0.01995F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1015.90(10)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2010303