3-[1-(Ethylamino)ethylidene]-6-methyl-3<i>H</i>-pyran-2,4-dione
Xiao, G.; van der Helm, D.; Hider, R. C.; Dobbin, P. S.; Acta Crystallographica Section C 49 (1993) 980–982; doi:10.1107/S0108270192010928

data_2001720
_publ_section_title
;
 3-[1-(Ethylamino)ethylidene]-6-methyl-3<i>H</i>-pyran-2,4-dione
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              980
_journal_page_last               982
_journal_paper_doi               10.1107/S0108270192010928
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C10 H13 N O3'
_chemical_formula_weight         195.11
_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           SHELXS86
_cell_angle_alpha                90
_cell_angle_beta                 109.528(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0846(2)
_cell_length_b                   27.3740(10)
_cell_length_c                   7.4008(3)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    138(2)
_cell_measurement_theta_max      40
_cell_measurement_theta_min      23
_cell_volume                     970.83(7)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            2001
_diffrn_reflns_theta_max         75.0
_diffrn_standards_decay_%        1.7
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.73
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_description       block
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.32
_refine_ls_goodness_of_fit_obs   2.60
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     179
_refine_ls_number_reflns         1862
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.029
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.059
_reflns_number_observed          1862
_reflns_number_total             2001
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            st1027.cif
_cod_data_source_block           st1027_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        970.8(8)
_cod_original_formula_sum        'C10 H13 N1 O3'
_cod_database_code               2001720