data_2000702
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1499
_journal_page_last  1500
loop_
_publ_author_name
 'Kakehi, A.'
 'Kitajima, K.'
 'Ito, S.'
 'Takusagawa, N.'
_chemical_formula_sum  'C13 H13 N1 O2'
_chemical_formula_weight  215.25
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  8.2390(10)
_cell_length_b  9.7500(10)
_cell_length_c  7.8560(10)
_cell_angle_alpha  105.670(10)
_cell_angle_beta  118.140(10)
_cell_angle_gamma  79.850(10)
_cell_volume  534.80(10)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.336
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  228
_exptl_absorpt_coefficient_mu  0.085
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 O(1) -.1818(2) .23360(10)
       -.6085(2)
 O(2) -.26020(10)
       .05060(10)
       -.54230(10)
 N(1) .0627(2) .31750(10)
         -.1950(2)
 C(1) -.0488(2) .2018(2) -.2809(2)
 C(2) -.0237(2) .1379(2) -.1282(2)
 C(3) .1032(2) .2137(2) .0505(2)
 C(4) .2045(3) .2366(2) .2738(2)
 C(5) .3237(3) .3697(2) .3395(3)
 C(6) .2735(2) .4180(2) .1507(2)
 C(7) .3129(2) .5227(2) .0924(3)
 C(8) .2244(2) .5213(2) -.1140(3)
 C(9) .1038(2) .4239(2) -.2539(3)
 C(10) .1505(2) .32040(10)
       .0017(2)
 C(11) -.1660(2) .1668(2) -.4908(2)
 C(12) -.3803(2) .0039(2) -.7515(2)
 C(13) -.4718(3) -.1238(2) -.7745(3)
 H(1) -.087(2) .057(2) -.151(2)
 H(2) .118(2) .259(2) .334(3)
 H(3) .286(2) .151(2) .323(3)
 H(4) .297(2) .450(2) .437(3)
 H(5) .457(3) .344(2) .410(3)
 H(6) .397(2) .592(2) .183(3)
 H(7) .251(2) .594(2) -.155(3)
 H(8) .043(2) .421(2) -.387(3)
 H(9) -.470(2) .089(2) -.797(2)
 H(10) -.301(2) -.017(2) -.820(3)
 H(11) -.543(3) -.097(2) -.694(3)
 H(12) -.384(3) -.201(2) -.732(3)
 H(13) -.556(3) -.157(2) -.909(3)