3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
Sivaraman, J.; Subramanian, K.; Velmurugan, D.; Subramanian, E.; Shanmugasundram, P. S.; Acta Crystallographica Section C 52 (1996) 481–483; doi:10.1107/S0108270195010171

data_2004541
_publ_section_title
3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              481
_journal_page_last               483
_journal_paper_doi               10.1107/S0108270195010171
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C24 H29 N1 O2'
_chemical_formula_sum            'C24 H29 N O2'
_chemical_formula_weight         363
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   15.899(1)
_cell_length_b                   12.272(2)
_cell_length_c                   10.618(1)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293
_cell_measurement_theta_max      25
_cell_measurement_theta_min      15
_cell_volume                     2071.7(4)
_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  0.051
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1812
_diffrn_reflns_theta_max         65
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.54
_exptl_absorpt_correction_T_max  0.51
_exptl_absorpt_correction_T_min  0.38
_exptl_absorpt_correction_type   'empirical (Frenz, 1978)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_meas      1.182
_exptl_crystal_density_method    'flotation in water'
_exptl_crystal_description       'needle shaped'
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.399
_refine_ls_goodness_of_fit_obs   1.38
_refine_ls_number_parameters     168
_refine_ls_number_reflns         1355
_refine_ls_R_factor_obs          0.056
_refine_ls_shift/esd_max         0.098
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.013077F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.062
_reflns_number_observed          1355
_reflns_number_total             1788
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            sz1019.cif
_cod_data_source_block           sz1019a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.013077F^2^]'
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) +
0.013077F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2071.710(10)
_cod_original_formula_sum        'C24 H29 N1 O2'
_cod_database_code               2004541