data_C15H21N3O
loop_
_publ_author_name
'Rosling, Ari'
'Klika, Karel D.'
'Fulop, Ferenc'
'Sillanpaa, Reijo'
'Mattinen, Jorma'
_publ_section_title
;
An NMR Conformational Study of Ring- and N-Inversion, and Prototropic 
Tautomerism in Stereoisomeric 
2-[Arylamino(imino)]-4a,5,6,7,8,8a-hexahydro-(4H)-1,3,4-benzoxadiazines.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              103
_journal_page_last               113
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C15 H21 N3 O'
_chemical_formula_weight         259.35
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 21/c'
_cell_angle_alpha                90
_cell_angle_beta                 113.82(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.572(5)
_cell_length_b                   18.811(3)
_cell_length_c                   9.730(3)
_cell_volume                     1435(1)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    0.77
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_F_000             560
_refine_ls_number_parameters     182
_refine_ls_number_reflns         1339
_refine_ls_R_factor_gt           0.051
_refine_ls_wR_factor_gt          0.043
_cod_depositor_comments
;
No atomic coordinates in the paper,
a dummy atom was added
;
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
. . . . . 0 dum
