#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000472.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2000472
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1992
_journal_volume 48
_journal_page_first  2036
_journal_page_last  2039
loop_
_publ_author_name
 'Bryant, G.L.'
 'King, J.A.'
_chemical_formula_moiety  'C14 H15 N2 O1,C24 H20 B1'
_chemical_formula_sum  'C38 H35 B1 N2 O1'
_chemical_formula_weight  546.5
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  ?
_cell_length_a  9.086(2)
_cell_length_b  9.328(2)
_cell_length_c  19.494(5)
_cell_angle_alpha  79.03(2)
_cell_angle_beta  78.83(2)
_cell_angle_gamma  64.53(2)
_cell_volume  1452.6
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.249
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  580
_exptl_absorpt_coefficient_mu  0.069
_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
 N(1) .0858(2) .0993(2) .31970(10)
         .0240(10)
 C(1) .1701(2) .1803(2) .27570(10)
         .0250(10)
 C(2) .2051(2) .1684(2) .20580(10)
         .0250(10)
 C(3) .1505(2) .0758(2) .17520(10)
         .0220(10)
 C(4) .0625(2) -.0056(2) .22210(10)
          .0260(10)
 C(5) .0331(2) .0082(2) .29160(10)
         .0270(10)
 N(2) .1777(2) .0673(2) .10630(10)
         .0260(10)
 C(6) .2725(3) .1468(3) .05810(10)
         .0360(10)
 C(7) .1088(2) -.0174(3) .07530(10)
          .0310(10)
 C(8) .0365(2) .1179(2) .39420(10)
         .0280(10)
 O(1) -.0795(2) .0895(2) .42290(10)
          .0380(10)
 C(9) .1329(3) .1680(2) .42970(10)
         .0300(10)
 C(10) .3025(3) .1196(2) .41420(10)
          .0330(10)
 C(11) .3849(3) .1633(3) .45380(10)
          .0410(10)
 C(12) .2984(4) .2551(3) .50820(10)
          .0510(10)
 C(13) .1308(4) .3033(3) .52260(10)
          .0600(10)
 C(14) .0474(3) .2599(3) .48440(10)
          .0470(10)
 B(1) -.2553(2) .6967(2) .21580(10)
          .0190(10)
 C(15) -.2782(2) .6314(2) .14770(10)
           .0200(10)
 C(16) -.4279(2) .7051(2) .11930(10)
           .0230(10)
 C(17) -.4535(2) .6552(2) .06140(10)
           .0260(10)
 C(18) -.3310(2) .5282(2) .02970(10)
           .0260(10)
 C(19) -.1837(2) .4494(2) .05730(10)
           .0270(10)
 C(20) -.1594(2) .5004(2) .11530(10)
           .0240(10)
 C(21) -.3661(2) .6449(2) .28470(10)
           .0190(10)
 C(22) -.5196(2) .7497(2) .31390(10)
           .0230(10)
 C(23) -.6081(2) .7046(2) .37410(10)
           .0260(10)
 C(24) -.5468(2) .5502(2) .40720(10)
           .0280(10)
 C(25) -.3986(2) .4400(2) .37840(10)
           .0290(10)
 C(26) -.3120(2) .4873(2) .31830(10)
           .0260(10)
 C(27) -.0624(2) .6270(2) .22960(10)
           .0200(10)
 C(28) -.0164(2) .5933(2) .29730(10)
           .0260(10)
 C(29) .1430(2) .5525(2) .30990(10)
          .0290(10)
 C(30) .2663(2) .5401(2) .25420(10)
          .0270(10)
 C(31) .2264(2) .5710(2) .18620(10)
          .0260(10)
 C(32) .0657(2) .6154(2) .17460(10)
          .0230(10)
 C(33) -.3104(2) .8912(2) .20350(10)
           .0200(10)
 C(34) -.3356(2) .9771(2) .26000(10)
           .0230(10)
 C(35) -.3688(2) 1.1389(2) .25100(10)
            .0270(10)
 C(36) -.3755(2) 1.2235(2) .18410(10)
            .0270(10)
 C(37) -.3501(2) 1.1430(2) .12700(10)
            .0280(10)
 C(38) -.3193(2) .9812(2) .13700(10)
           .0240(10)
 H(1A) .2024 .2473 .2956 .080
 H(2A) .2696 .2203 .1759 .080
 H(4A) .0284 -.0727 .2032 .080
 H(5A) -.0283 -.0461 .3222 .080
 H(6A) .2792 .1269 .0108 .080
 H(6B) .3812 .1058 .0711 .080
 H(6C) .2192 .2598 .0608 .080
 H(7A) .1412 -.0114 .0253 .080
 H(7B) -.0089 .0313 .0847 .080
 H(7C) .1485 -.1274 .0955 .080
 H(10A) .3642 .0518 .3781 .080
 H(11A) .5021 .1278 .4444 .080
 H(12A) .3548 .2890 .5342 .080
 H(13A) .0691 .3675 .5600 .080
 H(14A) -.0682 .2872 .4971 .080
 H(16A) -.5135 .7922 .1421 .080
 H(17A) -.5560 .7132 .0424 .080
 H(18A) -.3497 .4882 -.0081 .080
 H(19A) -.0967 .3638 .0342 .080
 H(20A) -.0574 .4381 .1344 .080
 H(22A) -.5679 .8569 .2909 .080
 H(23A) -.7126 .7804 .3929 .080
 H(24A) -.6014 .5176 .4505 .080
 H(25A) -.3596 .3313 .4004 .080
 H(26A) -.2095 .4075 .3002 .080
 H(28A) -.1011 .5981 .3361 .080
 H(29A) .1660 .5320 .3577 .080
 H(30A) .3764 .5118 .2631 .080
 H(31A) .3101 .5629 .1467 .080
 H(32A) .0422 .6305 .1272 .080
 H(34A) -.3353 .9235 .3072 .080
 H(35A) -.3843 1.1946 .2903 .080
 H(36A) -.3986 1.3355 .1764 .080
 H(37A) -.3498 1.1960 .0797 .080
 H(38A) -.3116 .9313 .0970 .080