#------------------------------------------------------------------------------
#$Date: 2011-01-02 20:00:31 +0000 (Sun, 02 Jan 2011) $
#$Revision: 5310 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010208.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_2010208
loop_
_publ_author_name
'Fr\"ohlich, Roland'
'Grehl, Matthias'
'Kramm-Glade, Sigrid'
'Laschat, Sabine'
_publ_section_title
;
Two Octahydroacridines
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1798
_journal_page_last               1801
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C17 H25 N'
_chemical_formula_weight         243.38
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.
_cell_angle_beta                 106.850(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.0160(10)
_cell_length_b                   18.475(2)
_cell_length_c                   9.2950(10)
_cell_measurement_temperature    293
_cell_volume                     1481.8(3)
_exptl_crystal_density_diffrn    1.091
_refine_ls_R_factor_obs          0.072
_refine_ls_wR_factor_obs         0.209
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2010208
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 0.0760(10) 0.0440(10) 0.0630(10) -0.0020(10) 0.0200(10) 0.0000(10)
C(1) 0.117(2) 0.0480(10) 0.086(2) 0.0000(10) 0.044(2) 0.0000(10)
C(2) 0.130(3) 0.056(2) 0.122(3) 0.018(2) 0.059(2) 0.015(2)
C(3) 0.114(2) 0.066(2) 0.110(2) 0.025(2) 0.050(2) 0.018(2)
C(4) 0.086(2) 0.060(2) 0.082(2) 0.0090(10) 0.032(2) 0.0060(10)
C(4a) 0.099(2) 0.0490(10) 0.072(2) 0.0010(10) 0.0290(10) -0.0010(10)
C(5) 0.090(2) 0.0480(10) 0.0560(10) 0.0000(10) 0.0240(10) 0.0010(10)
C(6) 0.099(2) 0.057(2) 0.088(2) 0.0080(10) 0.020(2) 0.0080(10)
C(7) 0.095(2) 0.078(2) 0.117(3) 0.010(2) -0.002(2) 0.016(2)
C(8) 0.090(2) 0.077(2) 0.100(2) -0.008(2) -0.004(2) 0.002(2)
C(8a) 0.086(2) 0.0540(10) 0.0530(10) -0.0070(10) 0.0160(10) 0.0000(10)
C(9) 0.095(2) 0.0520(10) 0.0500(10) -0.0130(10) 0.0190(10) -0.0050(10)
C(9a) 0.094(2) 0.0490(10) 0.070(2) -0.0040(10) 0.0290(10) -0.0020(10)
C(10a) 0.081(2) 0.0490(10) 0.0440(10) -0.0020(10) 0.0220(10) 0.0000(10)
C(11) 0.114(3) 0.095(2) 0.134(3) 0.038(2) 0.048(3) 0.034(2)
C(12) 0.164(3) 0.073(2) 0.055(2) -0.020(2) 0.033(2) -0.0160(10)
C(13) 0.097(2) 0.072(2) 0.079(2) -0.016(2) 0.025(2) 0.0080(10)
C(14) 0.103(2) 0.0480(10) 0.087(2) -0.0080(10) 0.026(2) 0.0000(10)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N 0.1021(2) 0.53770(10) 0.3194(2) 0.0610(10)
C(1) 0.0319(4) 0.33660(10) 0.2889(4) 0.0800(10)
C(2) 0.1839(5) 0.3142(2) 0.4057(5) 0.0980(10)
C(3) 0.3181(4) 0.3586(2) 0.3978(4) 0.0930(10)
C(4) 0.2808(3) 0.43910(10) 0.4077(3) 0.0740(10)
C(4a) 0.1320(3) 0.46140(10) 0.2926(3) 0.0720(10)
C(5) -0.0516(3) 0.64450(10) 0.2394(3) 0.0640(10)
C(6) -0.1914(4) 0.6753(2) 0.1643(3) 0.0830(10)
C(7) -0.3201(4) 0.6339(2) 0.1000(4) 0.1030(10)
C(8) -0.3068(4) 0.5596(2) 0.1112(4) 0.0950(10)
C(8a) -0.1686(3) 0.52490(10) 0.1833(2) 0.0650(10)
C(9) -0.1600(3) 0.44180(10) 0.1891(2) 0.0660(10)
C(9a) -0.0032(3) 0.41650(10) 0.3017(3) 0.0700(10)
C(10a) -0.0390(3) 0.56810(10) 0.2462(2) 0.0570(10)
C(11) 0.4651(5) 0.3383(2) 0.5136(5) 0.1120(10)
C(12) -0.1838(6) 0.4140(2) 0.0274(3) 0.0970(10)
C(13) -0.2910(4) 0.4127(2) 0.2472(4) 0.0830(10)
C(14) 0.0859(4) 0.69030(10) 0.3138(4) 0.0800(10)
H 0.183(3) 0.5679(16) 0.319(3) 0.073
H(1a) 0.041(3) 0.3239(17) 0.189(4) 0.096
H(1b) -0.058(4) 0.3054(17) 0.305(4) 0.096
H(2a) 0.168(4) 0.3241(19) 0.519(4) 0.118
H(2b) 0.213(4) 0.261(2) 0.397(4) 0.118
H(3) 0.328(4) 0.3523(18) 0.283(4) 0.112
H(4a) 0.269(3) 0.4517(16) 0.507(4) 0.089
H(4b) 0.366(3) 0.4686(16) 0.385(3) 0.089
H(4aa) 0.141(3) 0.4542(15) 0.174(3) 0.087
H(6) -0.196(4) 0.7292(19) 0.163(3) 0.099
H(7) -0.425(4) 0.656(2) 0.045(4) 0.124
H(8) -0.392(4) 0.530(2) 0.074(4) 0.115
H(9aa) -0.013(3) 0.4265(15) 0.414(3) 0.084
H(11a) 0.562(6) 0.368(3) 0.494(5) 0.168
H(11b) 0.500(6) 0.291(3) 0.501(6) 0.168
H(11c) 0.470(6) 0.351(3) 0.614(6) 0.168
H(12a) -0.083(5) 0.426(2) -0.002(5) 0.146
H(12b) -0.282(5) 0.432(2) -0.034(5) 0.146
H(12c) -0.190(5) 0.359(3) 0.026(5) 0.146
H(13a) -0.284(4) 0.363(2) 0.254(4) 0.124
H(13b) -0.411(5) 0.4265(19) 0.177(4) 0.124
H(13c) -0.281(4) 0.432(2) 0.364(5) 0.124
H(14a) 0.174(4) 0.6799(19) 0.276(4) 0.120
H(14b) 0.132(4) 0.6783(18) 0.433(5) 0.120
H(14c) 0.053(4) 0.739(2) 0.303(4) 0.120
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) . . 1.377(3) yes
C(1) C(9a) . . 1.522(3) yes
C(2) C(3) . . 1.481(5) yes
C(3) C(4) . . 1.533(4) yes
C(4a) C(9a) . . 1.497(4) yes
C(5) C(10a) . . 1.415(3) yes
C(6) C(7) . . 1.373(4) yes
C(8) C(8a) . . 1.389(4) yes
C(8a) C(9) . . 1.537(3) yes
C(9) C(12) . . 1.543(3) yes
N C(4a) . . 1.470(3) yes
C(1) C(2) . . 1.538(5) yes
C(3) C(11) . . 1.493(5) yes
C(4) C(4a) . . 1.511(4) yes
C(5) C(6) . . 1.374(4) yes
C(5) C(14) . . 1.494(4) yes
C(7) C(8) . . 1.380(5) yes
C(8a) C(10a) . . 1.396(3) yes
C(9) C(13) . . 1.531(4) yes
C(9) C(9a) . . 1.567(4) yes
C(3) C(11) . . 1.493(5) no
C(5) C(14) . . 1.494(4) no
C(9) C(13) . . 1.531(4) no
N H . . 0.92(3) no
C(1) H(1a) . . 0.99(3) no
C(1) H(1b) . . 1.04(3) no
C(2) H(2a) . . 1.11(4) no
C(2) H(2b) . . 1.03(4) no
C(3) H(3) . . 1.11(3) no
C(4) H(4a) . . 0.99(3) no
C(4) H(4b) . . 1.01(3) no
C(4a) H(4aa) . . 1.13(3) no
C(6) H(6) . . 1.00(3) no
C(7) H(7) . . 1.02(4) no
C(8) H(8) . . 0.93(4) no
C(9a) H(9aa) . . 1.09(3) no
C(11) H(11a) . . 1.09(5) no
C(11) H(11b) . . 0.95(5) no
C(11) H(11c) . . 0.95(5) no
C(12) H(12a) . . 1.05(5) no
C(12) H(12b) . . 0.96(4) no
C(12) H(12c) . . 1.02(5) no
C(13) H(13a) . . 0.92(4) no
C(13) H(13b) . . 1.12(4) no
C(13) H(13c) . . 1.12(4) no
C(14) H(14a) . . 0.98(4) no
C(14) H(14b) . . 1.09(4) no
C(14) H(14c) . . 0.95(4) no