#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/18/2001865.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001865
loop_
_publ_author_name
'Katrusiak, A.'
_publ_section_title
;
 Structure of 2-phenyl-2-dehydrosparteine
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              497
_journal_page_last               500
_journal_paper_doi               10.1107/S0108270192009338
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C21 H28 N2'
_chemical_formula_weight         308.47
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.210(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.5700(10)
_cell_length_b                   9.4313(7)
_cell_length_c                   12.4850(10)
_cell_volume                     871.20(15)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    0.486
_exptl_crystal_density_diffrn    1.176
_exptl_crystal_F_000             336
_cod_data_source_file            hu0408.cif
_cod_data_source_block           hu0408_structure_1_of_1
_cod_original_cell_volume        871.2(2)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2001865
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N(1) .0603(3) .2820 .7624(2) .037
C(2) .0040(4) .1907(4) .6723(2) .039
C(3) -.1556(4) .1257(5) .6509(3) .049
C(4) -.2934(4) .1403(5) .7211(3) .056
C(5) -.2547(4) .2745(5) .7894(3) .051
C(6) -.0541(4) .2846(5) .8439(2) .044
C(7) -.0098(4) .4166(5) .9162(3) .048
C(8) .1867(4) .4068(5) .9787(2) .047
C(9) .3006(4) .4094(5) .8921(2) .040
C(10) .2536(4) .2821(5) .8163(3) .041
C(11) .2744(4) .5526(4) .8290(2) .038
C(12) .4487(4) .6375(5) .8477(3) .053
C(13) .4233(5) .7803(5) .7899(3) .064
C(14) .2700(5) .8605(5) .8231(3) .056
C(15) .1009(5) .7702(4) .8024(3) .051
N(16) .1322(3) .6365(4) .8636(2) .041
C(17) -.0362(4) .5558(5) .8504(3) .047
C(18) .1277(4) .1727(4) .5938(2) .040
C(19) .2088(4) .2869(5) .5533(3) .047
C(20) .3169(5) .2658(5) .4770(3) .058
C(21) .3457(5) .1304(5) .4425(3) .061
C(22) .2646(5) .0163(5) .4811(3) .059
C(23) .1572(5) .0367(5) .5568(2) .048
H(3) -.2238 .0545 .5879 ?
H(41) -.4269 .1466 .6696 ?
H(42) -.2858 .0496 .7747 ?
H(51) -.2919 .3656 .7370 ?
H(52) -.3334 .2733 .8522 ?
H(6) -.0252 .1924 .8960 ?
H(7) -.1022 .4190 .9714 ?
H(81) .2088 .3095 1.0250 ?
H(82) .2200 .4960 1.0336 ?
H(9) .4423 .4015 .9305 ?
H(101) .2843 .1860 .8637 ?
H(102) .3338 .2861 .7542 ?
H(11) .2348 .5293 .7427 ?
H(121) .4951 .6551 .9347 ?
H(122) .5491 .5775 .8170 ?
H(131) .3920 .7639 .7024 ?
H(132) .5465 .8413 .8124 ?
H(141) .2442 .9570 .7758 ?
H(142) .3074 .8864 .9093 ?
H(151) .0620 .7473 .7158 ?
H(152) -.0063 .8280 .8281 ?
H(171) -.1357 .6198 .8785 ?
H(172) -.0838 .5311 .7646 ?
H(19) .1881 .3929 .5810 ?
H(20) .3782 .3556 .4452 ?
H(21) .4321 .1141 .3850 ?
H(22) .2850 -.0891 .4525 ?
H(23) .0956 -.0535 .5875 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
N(1) C(2) 1.409(4)
C(2) C(3) 1.330(4)
C(3) C(4) 1.504(4)
C(4) C(5) 1.520(5)
C(5) C(6) 1.530(4)
C(6) N(1) 1.469(4)
C(6) C(7) 1.533(5)
C(7) C(8) 1.529(5)
C(8) C(9) 1.519(4)
C(9) C(10) 1.523(5)
C(10) N(1) 1.476(4)
C(7) C(17) 1.539(5)
C(17) N(16) 1.464(4)
N(16) C(11) 1.472(4)
C(11) C(9) 1.555(4)
N(16) C(15) 1.468(4)
C(15) C(14) 1.513(5)
C(14) C(13) 1.515(5)
C(13) C(12) 1.521(5)
C(12) C(11) 1.518(4)
C(2) C(18) 1.502(4)
C(18) C(19) 1.387(5)
C(19) C(20) 1.394(5)
C(20) C(21) 1.389(6)
C(21) C(22) 1.376(6)
C(22) C(23) 1.383(5)
C(23) C(18) 1.398(4)
