2,2-Dimethyl-5-(dimethylamino)indan-1,3-dione
Garcia, J.G.; Enas, J.D.; Fronczek, F.R.; Acta Crystallographica Section C 50 (1994) 2025–2027; doi:10.1107/S0108270194005238

data_2010300
_publ_section_title
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 2,2-Dimethyl-5-(dimethylamino)indan-1,3-dione
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2025
_journal_page_last               2027
_journal_paper_doi               10.1107/S0108270194005238
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C13 H15 N O2'
_chemical_formula_weight         217.3
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_type_scat_source           'IntTabIV Tables 2.2B, 2.3.1'
_cell_angle_alpha                90.
_cell_angle_beta                 97.694(5)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   8.7031(8)
_cell_length_b                   7.3745(3)
_cell_length_c                   9.1677(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      39
_cell_measurement_theta_min      20
_cell_volume                     583.10(6)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2520
_diffrn_reflns_theta_max         75
_diffrn_standards_decay_%        '-2.6%, linear correction'
_diffrn_standards_interval_time  167
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.64
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_description       'needle fragment'
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.22
_refine_ls_extinction_coef       2.39E-5(7)
_refine_ls_extinction_method     '1/(1 + gI~c~) applied to F~c~'
_refine_ls_goodness_of_fit_obs   3.558
_refine_ls_number_parameters     116
_refine_ls_number_reflns         1167
_refine_ls_R_factor_obs          0.044
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4F~o~^2^/[\s^2^(I) + (0.02F~o~^2^)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.068
_reflns_number_observed          1167
_reflns_number_total             1302
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            hu1092.cif
_cod_data_source_block           hu1092a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4F~o~^2^/[\s^2^(I) +
(0.02F~o~^2^)^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 4F~o~^2^/[\s^2^(I) + (0.02F~o~^2^)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        583.10(10)
_cod_original_sg_symbol_Hall     '-P 2y1'
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2010300