Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O
Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo; Acta Crystallographica Section C 50 (1994) 2096–2098; doi:10.1107/S0108270194004968

data_2010326
_publ_section_title
;Chemical degradation of spiroindolinonaphthoxazines:
 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine,
 C~22~H~20~N~2~O
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2096
_journal_page_last               2098
_journal_paper_doi               10.1107/S0108270194004968
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C22 H20 N2 O'
_chemical_formula_weight         328.41
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   29.464(7)
_cell_length_b                   13.861(4)
_cell_length_c                   8.515(2)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293
_cell_measurement_theta_max      28
_cell_measurement_theta_min      14
_cell_volume                     3477.5(15)
_diffrn_measurement_device       'Siemens AED'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3776
_diffrn_reflns_theta_max         70
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         1
_exptl_absorpt_coefficient_mu    0.5726
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.2545
_exptl_crystal_description       prism
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.54
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     226
_refine_ls_number_reflns         2038
_refine_ls_R_factor_obs          0.0564
_refine_ls_shift/esd_max         0.03
_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         0.0453
_reflns_number_observed          2038
_reflns_number_total             3312
_reflns_observed_criterion       I>2.5(I)
_cod_data_source_file            na1085.cif
_cod_data_source_block           na1085_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '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_formula_sum        'C22 H20 N2 O1'
_cod_database_code               2010326