data_2000217
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2131
_journal_page_last  2134
loop_
_publ_author_name
 'Gleason, W.B.'
 'Brostrom, M.'
 'Etter, M.C.'
 'Johnson, R.B.'
_chemical_formula_sum  'C13 H8 F1 N1'
_chemical_formula_weight  197.2
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_cell_length_a  22.525(2)
_cell_length_b  11.730(2)
_cell_length_c  7.568(2)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1999.7
_cell_formula_units_Z  8
_exptl_crystal_density_diffrn  1.31
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  816
_exptl_absorpt_coefficient_mu  0.08
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 F .35357(6) .43830(10)
    .9118(2)
 N -.08874(9) .1531(2) .5207(4)
 C1 .12393(9) .3035(2) .7222(3)
 C2 .11024(10) .1878(2) .7120(3)
 C3 .05552(10) .1502(2) .6621(4)
 C4 .01139(9) .2280(2) .6212(3)
 C5 .02313(10) .3432(2) .6333(3)
 C6 .07856(10) .3797(2) .6831(3)
 C7 .18414(9) .3410(2) .7715(3)
 C8 .23329(9) .2741(2) .7296(3)
 C9 .28991(10) .3066(2) .7751(4)
 C10 .29683(10) .4064(2) .8636(3)
 C11 .25075(12) .4758(2) .9064(3)
 C12 .19429(10) .4430(2) .8596(3)
 C13 -.04546(11) .1882(2) .5649(4)
 H1 .1401 .1332 .7410
 H2 .0478 .0705 .6555
 H3 -.0070 .3969 .6069
 H4 .0860 .4596 .6916
 H5 .2277 .2044 .6681
 H6 .3232 .2602 .7454
 H7 .2574 .5455 .9673
 H8 .1617 .4909 .8877