2-Methyl-2-(2-methylphenylazo)-1,3-indandione
Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W.; Acta Crystallographica Section C 51 (1995) 707–709; doi:10.1107/S010827019400867X

data_2003349
_publ_section_title
;
 2-Methyl-2-(2-methylphenylazo)-1,3-indandione
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              707
_journal_page_last               709
_journal_paper_doi               10.1107/S010827019400867X
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'Phillips (1959)'
_chemical_formula_moiety         'C17 H14 N2 O2'
_chemical_formula_sum            'C17 H14 N2 O2'
_chemical_formula_weight         278.3
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 107.73(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.205(2)
_cell_length_b                   14.321(5)
_cell_length_c                   12.838(4)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      20
_cell_measurement_theta_min      6
_cell_volume                     1436.9(8)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1174
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        0.5
_diffrn_standards_interval_time  125
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.08
_exptl_absorpt_correction_T_max  0.986
_exptl_absorpt_correction_T_min  0.959
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.44
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.16
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     232
_refine_ls_number_reflns         991
_refine_ls_R_factor_obs          0.0529
_refine_ls_shift/esd_max         0.186
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 2.7065/[\s^2^(F) + 0.000846F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0565
_reflns_number_observed          1079
_reflns_number_total             1174
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            hr1008.cif
_cod_data_source_block           hr1008a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '2.7065/[\s^2^(F) +
0.000846F^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 2.7065/[\s^2^(F) + 0.000846F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               2003349