Polymorph (II) of Methyl 3-(4-Ethoxy-α-hydroxyiminobenzyl)-1,2,2-trimethyl-cyclopentanecarboxylate
Nurit, J.; Rambaud, J.; Pauvert, B.; Doumbia, O.; Térol, A.; Chevallet, P.; Declercq, J.-P.; Acta Crystallographica Section C 51 (1995) 322–324; doi:10.1107/S0108270194006013

data_2010496
_publ_section_title
;
 Polymorph (II) of Methyl
 3-(4-Ethoxy-\a-hydroxyiminobenzyl)-1,2,2-trimethyl-cyclopentanecarboxylate
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              322
_journal_page_last               324
_journal_paper_doi               10.1107/S0108270194006013
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C19 H27 N O4'
_chemical_formula_weight         333.428
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 125.620(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.179(2)
_cell_length_b                   11.2030(10)
_cell_length_c                   17.286(2)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      15
_cell_volume                     3806.3(8)
_diffrn_measurement_device       'Huber four circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3432
_diffrn_reflns_theta_max         67.5
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.578
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.16
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.25
_refine_diff_density_min         -0.23
_refine_ls_extinction_method     none?
_refine_ls_goodness_of_fit_obs   1.53
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     228
_refine_ls_number_reflns         2850
_refine_ls_R_factor_obs          0.058
_refine_ls_shift/esd_max         0.1
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.005315F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.088
_reflns_number_observed          2850
_reflns_number_total             3432
_reflns_observed_criterion       I>=2.5\s
_cod_data_source_file            pa1101.cif
_cod_data_source_block           pa1101_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.005315F^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) +
0.005315F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3806.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C19 H27 N1 O4'
_cod_database_code               2010496