1,3,3-Trimethylindoline-2-spiro-2'-3'-methyl-2'<i>H</i>-phenanthro[9,10-<i>b</i>][1,4]oxazine
Liang, Yong-Chao; Chen, Xue-An; Zhao, Ling; Zhang, Qi-Yuan; Chen, Jian-Xin; Ming, Yang-Fu; Fan, Mei-Gong; Acta Crystallographica Section C 54 (1998) 279–281; doi:10.1107/S0108270197014637

data_2006993
_publ_section_title
1,3,3-Trimethylindoline-2-spiro-2'-3'-methyl-2'<i>H</i>-phenanthro[9,10-<i>b</i>][1,4]oxazine
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              279
_journal_page_last               281
_journal_paper_doi               10.1107/S0108270197014637
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'C27 H24 N2 O'
_chemical_formula_sum            'C27 H24 N2 O'
_chemical_formula_weight         392.48
_chemical_name_systematic
' 1,3,3,2'-Tetramethylspiro[indoline-2,3'-[3H]phenanthro[9,10-b][1,4]oxazine]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.82(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.766(2)
_cell_length_b                   16.184(3)
_cell_length_c                   13.456(2)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      5
_cell_volume                     2089.0(7)
_diffrn_measurement_device       'Siemens P4 four-circle diffractometer'
_diffrn_measurement_method       \q--2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4693
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.248
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             832
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       0.047(2)
_refine_ls_extinction_method     SHELXL93
_refine_ls_goodness_of_fit_all   0.946
_refine_ls_goodness_of_fit_obs   1.098
_refine_ls_number_parameters     274
_refine_ls_number_reflns         3666
_refine_ls_R_factor_obs          .0398
_refine_ls_shift/esd_max         -0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0626P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1086
_refine_ls_wR_factor_obs         .1011
_reflns_number_observed          2450
_reflns_number_total             3666
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            bm1186.cif
_cod_data_source_block           I
_cod_original_cell_volume        2088.8(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2006993