Ethyl (<i>E</i>)-2-Furyl-2-(hydroxyimino)acetate
Ülkü, Din ̧cer; Tahir, M. Nawaz; Demir, Ayhan S.; Aksoy-Çam, Hilal; Acta Crystallographica Section C 54 (1998) 94–95; doi:10.1107/S0108270197009852

data_2006955
_publ_section_title
;
 Ethyl (<i>E</i>)-2-Furyl-2-(hydroxyimino)acetate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              94
_journal_page_last               95
_journal_paper_doi               10.1107/S0108270197009852
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'C8 H9 N O4'
_chemical_formula_sum            'C8 H9 N O4'
_chemical_formula_weight         183.165
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 92.868(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.4880(11)
_cell_length_b                   11.4945(13)
_cell_length_c                   16.6699(15)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      21.13
_cell_measurement_theta_min      11.70
_cell_volume                     858.9(2)
_computing_data_collection       'CAD4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'MolEN version of ORTEPII (Johnson, 1976)'
_computing_publication_material  MolEN
_computing_structure_refinement  'LSFM MolEN'
_computing_structure_solution    'SIR MolEN'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            2439
_diffrn_reflns_theta_max         28.06
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        1.24
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.4164
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.201
_refine_diff_density_min         -0.334
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.91
_refine_ls_hydrogen_treatment    'H atoms riding, see text'
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1168
_refine_ls_R_factor_obs          .061
_refine_ls_shift/esd_max         0.00011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
; w = 1/[\sF^2^ + (0.02F)^2^ + 1.0]
except w = 0 if F^2^ < \s(F^2^)
;
_refine_ls_wR_factor_obs         .063
_reflns_number_observed          1168
_reflns_number_total             2174
_reflns_observed_criterion       I>\s(I)
_cod_data_source_file            sk1113.cif
_cod_data_source_block           METUAYNA
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        858.9(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2006955