6'-Diethylamino-2'-methylaminospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one
Miao, F.-M.; Zhang, L.-J.; Wen, X.; Zhou, W.-H.; Niu, Z.-C.; Han, J.-G.; Liu, X.-L.; Acta Crystallographica Section C 52 (1996) 700–702; doi:10.1107/S0108270195013175

data_2004598
_publ_section_title
6'-Diethylamino-2'-methylaminospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              700
_journal_page_last               702
_journal_paper_doi               10.1107/S0108270195013175
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C25 H24 N2 O3'
_chemical_formula_weight         400.48
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 127.04(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   30.973(8)
_cell_length_b                   8.040(5)
_cell_length_c                   21.268(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     4228(4)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965)'
_computing_publication_material  MolEN
_computing_structure_refinement  MolEN
_computing_structure_solution    'MULTAN11/82 (Main et al., 1982) and MolEN'
_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  0.003
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            2772
_diffrn_reflns_theta_max         46
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.089
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.237
_refine_diff_density_min         -0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.45
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     271
_refine_ls_number_reflns         1472
_refine_ls_R_factor_obs          0.052
_refine_ls_shift/esd_max         0.08
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.060
_reflns_number_observed          1472
_reflns_number_total             2754
_reflns_observed_criterion       |F~o~|>3\s(|F~o~|)
_cod_data_source_file            de1014.cif
_cod_data_source_block           de1014a
_cod_original_cell_volume        4226.4(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2004598