Ethyl (<i>E</i>)-2-methoxyimino-2-(4-nitrobenzoyl)acetate
Caracelli, Ignez; Moran, Paulo J. S.; Hinoue, Luciana; Zukerman-Schpector, Julio; Tiekink, Edward R. T.; Acta Crystallographica Section E 66 (2010) o396–; doi:10.1107/S1600536810001583

data_2225118
_publ_section_title
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 Ethyl (<i>E</i>)-2-methoxyimino-2-(4-nitrobenzoyl)acetate
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_journal_coeditor_code           SU2157
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o396
_journal_paper_doi               10.1107/S1600536810001583
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C12 H12 N2 O6'
_chemical_formula_moiety         'C12 H12 N2 O6'
_chemical_formula_sum            'C12 H12 N2 O6'
_chemical_formula_weight         280.24
_chemical_name_systematic
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Ethyl (<i>E</i>)-2-methoxyimino-2-(4-nitrobenzoyl)acetate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
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_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                83.2640(10)
_cell_angle_beta                 73.7310(10)
_cell_angle_gamma                68.9390(10)
_cell_formula_units_Z            2
_cell_length_a                   7.51970(10)
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_cell_length_c                   12.3338(2)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      2.9
_cell_measurement_theta_min      26.6
_cell_volume                     629.619(16)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material
'WinGX (Farrugia, 1999), PARST (Nardelli, 1995) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEXII CCD'
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'calc w=1/[\s^2^(Fo^2^)+(0.0456P)^2^+0.1834P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                2310
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_reflns_threshold_expression     I>2\s(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'multi scan' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2225118
_cod_database_fobs_code          2225118