data_2000241
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2249
_journal_page_last  2252
loop_
_publ_author_name
 'King, J.A. Jr.'
 'Bryant, G.L. Jr.'
_chemical_formula_moiety  'C13 H20 N1 O2,B1 F4'
_chemical_formula_sum  'C13 H20 B1 F4 N1 O2'
_chemical_formula_weight  309.1
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_length_a  9.196(3)
_cell_length_b  13.442(3)
_cell_length_c  12.718(3)
_cell_angle_alpha  90
_cell_angle_beta  104.46(2)
_cell_angle_gamma  90
_cell_volume  1530.2
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.342
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  648
_exptl_absorpt_coefficient_mu  0.114
_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
_atom_site_U_iso_or_equiv
 B(1) .2543(2) .5661(2) .1582(2) .0310(10)
 F(1) .16710(10)
   .61890(10)
   .07090(10)
   .041(4)
 F(2) .37060(10)
   .51940(10)
   .12550(10)
   .046(4)
 F(4) .31610(10)
   .63190(10)
   .24190(10)
   .0450(10)
 F(3) .1687(2) .49580(10)
   .19370(10)
   .0620(10)
 N(1) .2625(2) .27810(10)
   -.10340(10)
    .0250(10)
 O(1) .30390(10)
   .11390(10)
   -.05700(10)
    .0300(10)
 O(2) .17510(10)
   .20570(10)
   .03770(10)
   .0310(10)
 C(1) .2934(2) .02710(10)
   .00640(10)
   .0280(10)
 C(2) .3904(2) .01840(10)
   .10710(10)
   .0310(10)
 C(3) .3811(2) -.06760(10)
    .1663(2) .0350(10)
 C(4) .2771(2) -.14070(10)
    .1233(2) .0350(10)
 C(5) .1837(2) -.12950(10)
    .0204(2) .0390(10)
 C(6) .1904(2) -.04400(10)
    -.0399(2) .0360(10)
 C(7) .2400(2) .19490(10)
   -.03070(10)
    .0250(10)
 C(8) .1979(2) .24700(10)
   -.22200(10)
    .0310(10)
 C(9) .0330(2) .2231(2) -.24850(10)
    .0370(10)
 C(10) .1851(2) .37100(10)
    -.07410(10)
     .0280(10)
 C(11) .1990(2) .46150(10)
    -.1414(2) .0390(10)
 C(12) .4313(2) .29440(10)
    -.0869(2) .0310(10)
 C(13) .5143(2) .3131(2) .0299(2) .0370(10)
 H(2A) .4656 .0677 .1347 .080
 H(3A) .4427 -.0755 .2387 .080
 H(4A) .2714 -.1996 .1647 .080
 H(5A) .1143 -.1816 -.0093 .080
 H(6A) .1274 -.0349 -.1118 .080
 H(8A) .2504 .1897 -.2382 .080
 H(8B) .2132 .3003 -.2683 .080
 H(9A) -.0028 .2048 -.3235 .080
 H(9B) .0173 .1689 -.2035 .080
 H(9C) -.0203 .2806 -.2339 .080
 H(10A) .2301 .3859 .0008 .080
 H(10B) .0808 .3585 -.0812 .080
 H(11A) .1517 .5178 -.1176 .080
 H(11B) .3031 .4757 -.1334 .080
 H(11C) .1520 .4480 -.2162 .080
 H(12A) .4477 .3491 -.1310 .080
 H(12B) .4746 .2362 -.1103 .080
 H(13A) .6192 .3225 .0361 .080
 H(13B) .4735 .3722 .0535 .080
 H(13C) .5007 .2580 .0744 .080