#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010207.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_2010207
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1798
_journal_page_last  1801
_publ_section_title
;
Two Octahydroacridines
;
loop_
_publ_author_name
  'Fr\"ohlich, Roland'
  'Grehl, Matthias'
  'Kramm-Glade, Sigrid'
  'Laschat, Sabine'
_chemical_formula_sum  'C16 H23 N'
_chemical_formula_weight  229.35
_symmetry_cell_setting  Monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  10.0580(10)
_cell_length_b  10.1540(10)
_cell_length_c  13.2960(10)
_cell_angle_alpha  90.
_cell_angle_beta  94.800(10)
_cell_angle_gamma  90.
_cell_volume  1353.1(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.126
_refine_ls_R_factor_obs  0.061
_refine_ls_wR_factor_obs  0.196
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  N 0.3330(2) 0.4912(2) 0.31500(10)
  0.0460(10)
  C(1) 0.1373(2) 0.6904(2) 0.3826(2) 0.0470(10)
  C(2) 0.1941(3) 0.7092(3) 0.4909(2) 0.0600(10)
  C(3) 0.3182(3) 0.6253(3) 0.5150(2) 0.0630(10)
  C(4) 0.2892(2) 0.4823(2) 0.4914(2) 0.0520(10)
  C(4a) 0.2323(2) 0.4609(2) 0.3836(2) 0.0410(10)
  C(5) 0.4101(2) 0.5566(2) 0.1561(2) 0.0410(10)
  C(6) 0.3810(2) 0.6000(2) 0.0586(2) 0.0470(10)
  C(7) 0.2516(2) 0.6197(2) 0.0190(2) 0.0510(10)
  C(8) 0.1484(2) 0.5968(2) 0.0791(2) 0.0450(10)
  C(8a) 0.1713(2) 0.5537(2) 0.1777(2) 0.0380(10)
  C(9) 0.0580(2) 0.5243(2) 0.2443(2) 0.0420(10)
  C(9a) 0.1091(2) 0.5461(2) 0.3555(2) 0.0400(10)
  C(10a) 0.3045(2) 0.5322(2) 0.21640(10)
  0.0360(10)
  C(11) -0.0639(2) 0.6121(3) 0.2169(2) 0.0620(10)
  C(12) 0.0140(2) 0.3807(2) 0.2266(2) 0.0590(10)
  C(13) 0.5517(2) 0.5376(2) 0.1983(2) 0.0530(10)
  H 0.408(3)  0.468(3)  0.3351(19) 0.055
  H(1a) 0.1997(2) 0.7256(2) 0.3378(2) 0.057
  H(1b) 0.0550(2) 0.7401(2) 0.3718(2) 0.057
  H(2a) 0.1271(3) 0.6855(3) 0.5361(2) 0.072
  H(2B) 0.2166(3) 0.8012(3) 0.5020(2) 0.072
  H(3a) 0.3890(3) 0.6559(3) 0.4756(2) 0.075
  H(3b) 0.3483(3) 0.6346(3) 0.5859(2) 0.075
  H(4a) 0.2263(2) 0.4494(2) 0.5369(2) 0.062
  H(4b) 0.3710(2) 0.4320(2) 0.5033(2) 0.062
  H(4aa) 0.2071(2) 0.3681(2) 0.3752(2) 0.049
  H(6) 0.4506(2) 0.6164(2) 0.0184(2) 0.056
  H(7) 0.2338(2) 0.6480(2) -0.0473(2) 0.062
  H(8) 0.0611(2) 0.6109(2) 0.0525(2) 0.054
  H(9aa) 0.0388(2) 0.5160(2) 0.3968(2) 0.048
  H(11a) -0.1040(2) 0.5879(3) 0.1514(2) 0.093
  H(11b) -0.0365(2) 0.7026(3) 0.2161(2) 0.093
  H(11c) -0.1276(2) 0.6005(3) 0.2661(2) 0.093
  H(12a) -0.0137(2) 0.3679(2) 0.1564(2) 0.089
  H(12b) -0.0591(2) 0.3614(2) 0.2662(2) 0.089
  H(12c) 0.0873(2) 0.3229(2) 0.2460(2) 0.089
  H(13a) 0.6110(2) 0.5638(2) 0.1491(2) 0.079
  H(13b) 0.5663(2) 0.4464(2) 0.2150(2) 0.079
  H(13C) 0.5684(2) 0.5902(2) 0.2580(2) 0.079
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  N 0.0360(10)
  0.0600(10)
  0.0420(10)
  0.0070(10)
  0.0020(10)
  0.0140(10)
  C(1) 0.0440(10)
  0.0400(10)
  0.0580(10)
  -0.0010(10)
  0.0080(10)
  0.0090(10)
  C(2) 0.064(2) 0.053(2) 0.064(2) -0.0140(10)
  0.0030(10)
  0.0110(10)
  C(3) 0.063(2) 0.065(2) 0.0570(10)
  -0.0130(10)
  -0.0120(10)
  0.0080(10)
  C(4) 0.0510(10)
  0.058(2) 0.0460(10)
  0.0070(10)
  0.0020(10)
  0.0110(10)
  C(4a) 0.0430(10)
  0.0340(10)
  0.0460(10)
  0.0060(10)
  0.0010(10)
  0.0030(10)
  C(5) 0.0400(10)
  0.0340(10)
  0.0490(10)
  -0.0070(10)
  0.0070(10)
  -0.0020(10)
  C(6) 0.0540(10)
  0.0400(10)
  0.0480(10)
  -0.0050(10)
  0.0140(10)
  -0.0080(10)
  C(7) 0.066(2) 0.0460(10)
  0.0410(10)
  0.0020(10)
  0.0000(10)
  -0.0050(10)
  C(8) 0.0460(10)
  0.0440(10)
  0.0450(10)
  0.0010(10)
  -0.0070(10)
  -0.0020(10)
  C(8a) 0.0380(10)
  0.0320(10)
  0.0420(10)
  -0.0020(10)
  -0.0010(10)
  -0.0010(10)
  C(9) 0.0310(10)
  0.0420(10)
  0.0530(10)
  0.0060(10)
  -0.0010(10)
  0.0000(10)
  C(9a) 0.0320(10)
  0.0410(10)
  0.0490(10)
  0.0060(10)
  0.0090(10)
  0.0010(10)
  C(10a) 0.0370(10)
  0.0330(10)
  0.0390(10)
  -0.0030(10)
  0.0000(10)
  0.0020(10)
  C(11) 0.0390(10)
  0.076(2) 0.069(2) 0.0080(10)
  -0.0030(10)
  0.0140(10)
  C(12) 0.0530(10)
  0.053(2) 0.069(2) 0.0030(10)
  -0.0040(10)
  -0.0170(10)
  C(13) 0.0410(10)
  0.059(2) 0.0590(10)
  -0.0030(10)
  0.0090(10)
  0.0020(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  N C(10a) . . 1.383(3) yes
  C(1) C(2) . . 1.515(3) yes
  C(2) C(3) . . 1.522(4) yes
  C(4) C(4a) . . 1.514(3) yes
  C(5) C(6) . . 1.377(3) yes
  C(5) C(13) . . 1.499(3) yes
  C(7) C(8) . . 1.381(3) yes
  C(8a) C(10a) . . 1.411(3) yes
  C(9) C(11) . . 1.535(3) yes
  C(9) C(9a) . . 1.540(3) yes
  N C(4a) . . 1.452(3) yes
  C(1) C(9a) . . 1.530(3) yes
  C(3) C(4) . . 1.509(4) yes
  C(4a) C(9a) . . 1.531(3) yes
  C(5) C(10a) . . 1.406(3) yes
  C(6) C(7) . . 1.378(3) yes
  C(8) C(8a) . . 1.384(3) yes
  C(8a) C(9) . . 1.529(3) yes
  C(9) C(12) . . 1.537(3) yes