Diethyl (2,3-dihydro-2-oxo-3-indolylidene)propanedioate
Zukerman-Schpector, J.; Pinto, A.Da.C.; Da Silva, J.F.M.; Barcellos, M.T.F.C.; Pires, S.S.; Fraiz, S.V. Jr; Acta Crystallographica Section C 50 (1994) 945–946; doi:10.1107/S0108270193011369

data_2009786
_publ_section_title
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 Diethyl (2,3-dihydro-2-oxo-3-indolylidene)propanedioate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              945
_journal_page_last               946
_journal_paper_doi               10.1107/S0108270193011369
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C15 H15 N1 O5'
_chemical_formula_sum            'C15 H15 N O5'
_chemical_formula_weight         289.29
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90.
_cell_angle_beta                 92.55(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.6740(10)
_cell_length_b                   13.2930(10)
_cell_length_c                   12.670(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    292
_cell_measurement_theta_max      21
_cell_measurement_theta_min      9
_cell_volume                     1459.4(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2147
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        +-1.1
_diffrn_standards_interval_time  30
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  1.44
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.32
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.38
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.22
_refine_ls_goodness_of_fit_obs   2.06
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     192
_refine_ls_number_reflns         1136
_refine_ls_R_factor_obs          0.060
_refine_ls_shift/esd_max         0.004
_refine_ls_weighting_details     'w = [\s^2^(|F~o~|) + 0005|F~o~|^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.067
_reflns_number_observed          1136
_reflns_number_total             2052
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            li1067.cif
_cod_data_source_block           li1067_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(|F~o~|) +
0005|F~o~|^2^]^-1^' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = [\s^2^(|F~o~|) + 0005|F~o~|^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1459.3(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C15 H15 N1 O5'
_cod_database_code               2009786