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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2000242.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_2000242
_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  'C6 H16 N1,C24 H20 B1'
_chemical_formula_sum  'C30 H36 B1 N1'
_chemical_formula_weight  421.4
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/m 1'
_symmetry_space_group_name_Hall  '-P 2y1'
_cell_length_a  9.282(2)
_cell_length_b  14.338(6)
_cell_length_c  9.551(4)
_cell_angle_alpha  90
_cell_angle_beta  109.71(3)
_cell_angle_gamma  90
_cell_volume  1196.7
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.170
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  456
_exptl_absorpt_coefficient_mu  0.061
_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) .1185(4) .2500 .3336(4) .0250(10)
 B(1) -.1792(6) .2500 .6912(6) .028(2)
 C(1) -.2544(4) .1586(3) .7459(3) .0260(10)
 C(2) -.1884(5) .1184(3) .8856(4) .040(2)
 C(3) -.2528(6) .0438(3) .9350(5) .051(2)
 C(4) -.3891(5) .0061(3) .8456(5) .047(2)
 C(5) -.4598(4) .0437(3) .7068(5) .044(2)
 C(6) -.3934(4) .1186(3) .6603(4) .037(2)
 C(7) -.2183(5) .2500 .5093(6) .036(2)
 C(8) -.2316(4) .3317(4) .4282(4) .052(2)
 C(9) -.2607(5) .3314(5) .2745(5) .075(3)
 C(10) -.2715(7) .2500 .1982(8) .078(4)
 C(11) .0095(5) .2500 .7603(5) .020(2)
 C(12) .0960(4) .1694(3) .7825(5) .039(2)
 C(13) .2534(4) .1685(3) .8228(5) .042(2)
 C(14) .3336(5) .2500 .8427(5) .025(2)
 C(15) .3490(6) .2500 .2498(5) .036(2)
 C(16) .1803(7) .2500 .2061(6) .087(4)
 C(17) .1472(8) .1580(5) .4000(10) .023(2)
 C(18) .1764(9) .1752(6) .4646(10) .028(2)
 C(19) .0909(9) .0840(6) .2807(9) .042(3)
 C(20) .1458(10) .0741(6) .4117(9) .039(3)
 H(1A) .0158 .2500 .2925 .080
 H(15A) .3743 .2500 .1602 .080
 H(15B) .3910 .3047 .3070 .080
 H(16A) .1213 .2032 .1393 .080
 H(17A) .0948 .1536 .4709 .080
 H(17B) .2557 .1532 .4498 .080
 H(2A) -.0962 .1464 .9506 .080
 H(3A) -.1996 .0170 1.0306 .080
 H(4A) -.4351 -.0454 .8790 .080
 H(5A) -.5560 .0193 .6434 .080
 H(6A) -.4428 .148 .5634 .080
 H(8A) -.2244 .3914 .4759 .080
 H(9A) -.2671 .3903 .2251 .080
 H(10A) -.2922 .2500 .0927 .080
 H(12A) .0444 .1104 .7728 .080
 H(13A) .3076 .1103 .8360 .080
 H(14A) .4433 .2500 .8727 .080
 H(19A) .1088 .0218 .3200 .080
 H(19B) -.0169 .0932 .2317 .080
 H(19C) .1435 .0929 .2107 .080
 H(20A) .1784 .0276 .4883 .080
 H(20B) .0376 .0682 .3607 .080
 H(20C) .1992 .0654 .3423 .080
 H(18A) .1108 .2148 .4975 .080
 H(18B) .2524 .2124 .4432 .080