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#                                CCDC 
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data_ANULEN
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/a'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,-z
3 -x,-y,-z
4 1/2+x,1/2-y,z
_cell_length_a                   14.889
_cell_length_b                   4.800
_cell_length_c                   10.235
_cell_angle_alpha                90
_cell_angle_beta                 111.60
_cell_angle_gamma                90
_cell_volume                     680.101
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C -0.11470 -0.45740 0.04300
C2 C -0.10680 -0.50890 0.18070
C3 C -0.04410 -0.36270 0.29880
C4 C 0.01510 -0.14830 0.29030
C5 C 0.08360 -0.00820 0.39950
C6 C 0.14300 0.20770 0.37810
C7 C 0.14160 0.28770 0.24740
C8 C 0.18850 0.50840 0.21540
C9 C -0.17710 -0.58840 -0.07700
H1 H -0.07200 -0.27800 0.03100
H2 H -0.14300 -0.66800 0.19700
H3 H -0.04300 -0.42700 0.39000
H4 H 0.00600 -0.07800 0.19500
H5 H 0.09500 -0.05400 0.49900
H6 H 0.18700 0.32000 0.46400
H7 H 0.10700 0.16800 0.17400
H8 H 0.22700 0.62600 0.29700
H9 H -0.21100 -0.74900 -0.06000
C9B C 0.17710 0.58840 0.07700
C8B C -0.18850 -0.50840 -0.21540
C1B C 0.11470 0.45740 -0.04300
H9B H 0.21100 0.74900 0.06000
C7B C -0.14160 -0.28770 -0.24740
H8B H -0.22700 -0.62600 -0.29700
C2B C 0.10680 0.50890 -0.18070
H1B H 0.07200 0.27800 -0.03100
C6B C -0.14300 -0.20770 -0.37810
H7B H -0.10700 -0.16800 -0.17400
C3B C 0.04410 0.36270 -0.29880
H2B H 0.14300 0.66800 -0.19700
C5B C -0.08360 0.00820 -0.39950
H6B H -0.18700 -0.32000 -0.46400
C4B C -0.01510 0.14830 -0.29030
H3B H 0.04300 0.42700 -0.39000
H5B H -0.09500 0.05400 -0.49900
H4B H -0.00600 0.07800 -0.19500

#END
