Methyl 2-[2-((<i>Z</i>)-{1-<i>trans</i>-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene}aminooxymethyl)phenyl]-2-[(<i>E</i>)-methoxyimino]acetate
Song, Chunfeng; Ross, Ronald; Shaber, Steven; Li, Bin; Acta Crystallographica Section E 65 (2009) o796–; doi:10.1107/S1600536809009064

data_2221273
_publ_section_title
;Methyl
 2-[2-((<i>Z</i>)-{1-<i>trans</i>-[2-(4-fluoro-3-methylphenyl)-2-methylcyclopropyl]ethylidene}aminooxymethyl)phenyl]-2-[(<i>E</i>)-methoxyimino]acetate
;
_journal_coeditor_code           BI2355
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o796
_journal_paper_doi               10.1107/S1600536809009064
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C24 H27 F N2 O4'
_chemical_formula_moiety         'C24 H27 F N2 O4'
_chemical_formula_sum            'C24 H27 F N2 O4'
_chemical_formula_weight         426.48
_chemical_name_systematic
;
Methyl
2-[2-((<i>Z</i>)-{1-<i>trans</i>-[2-(4-fluoro-3-methylphenyl)-2-\
methylcyclopropyl]ethylidene}aminooxymethyl)phenyl]-2-[(<i>E</i>)-\
methoxyimino]acetate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.134(4)
_cell_angle_beta                 92.014(4)
_cell_angle_gamma                104.718(4)
_cell_formula_units_Z            2
_cell_length_a                   7.819(3)
_cell_length_b                   10.901(4)
_cell_length_c                   14.565(5)
_cell_measurement_reflns_used    2258
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.17
_cell_measurement_theta_min      2.71
_cell_volume                     1152.2(7)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0149
_diffrn_reflns_av_sigmaI/netI    0.0278
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6297
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.01
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.263
_refine_diff_density_min         -0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4026
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0682P)^2^+0.2537P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1400
_reflns_number_gt                2977
_reflns_number_total             4026
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2355.cif
_cod_data_source_block           I
_cod_original_cell_volume        1152.3(7)
_cod_database_code               2221273
_cod_database_fobs_code          2221273