Dimethyl 2-(4-fluorophenyl)-3-(methylamino)furan-4,5-dicarboxylate
Ma, Cheng; Yang, Ye-Wei; Acta Crystallographica Section E 61 (2005) o3798–o3799; doi:10.1107/S1600536805033295

data_2207400
_publ_section_title
;
 Dimethyl 2-(4-fluorophenyl)-3-(methylamino)furan-4,5-dicarboxylate
;
_journal_coeditor_code           WW6437
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3798
_journal_page_last               o3799
_journal_paper_doi               10.1107/S1600536805033295
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C15 H14 F N O5'
_chemical_formula_moiety         'C15 H14 F N O5'
_chemical_formula_sum            'C15 H14 F N O5'
_chemical_formula_weight         307.28
_chemical_name_systematic
;
Dimethyl 2-(4-fluorophenyl)-3-(methylamino)furan-4,5-dicarboxylate
;
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 104.7530(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   17.3249(8)
_cell_length_b                   9.4165(4)
_cell_length_c                   18.2202(10)
_cell_measurement_reflns_used    8846
_cell_measurement_temperature    295.0(10)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.6
_cell_volume                     2874.4(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'CrystalStructure and  PLATON (Spek, 2003)'
_computing_structure_refinement  'CRYSTALS (Watkin, 1996)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12161
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.115
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_correction_T_min  0.914
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1280.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.46
_refine_diff_density_max         0.48
_refine_diff_density_min         -0.34
_refine_ls_extinction_coef       19(2)
_refine_ls_extinction_method     'Larson (1970), equation 22'
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     200
_refine_ls_number_reflns         3283
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.0017Fo^2^ + \s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1471
_reflns_number_gt                1935
_reflns_number_total             3283
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            ww6437.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2207400
_cod_database_fobs_code          2207400