Core dictionary (coreCIF) version 2.3.1
Category GEOM_TORSION
Name:'_geom_torsion_[]'
Definition:
Data items in the GEOM_TORSION category record details about interatomic torsion angles as calculated from the ATOM, CELL and SYMMETRY data.Example:
Example 1 - based on data set CLPHO6 of Ferguson, Ruhl, McKervey & Browne
[Acta Cryst. (1992), C48, 2262-2264].
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C(9) O(2) C(7) C(2) 71.8(2) . . . . yes
C(7) O(2) C(9) C(10) -168.0(3) . . . 2_666 yes
C(10) O(3) C(8) C(6) -167.7(3) . . . . yes
C(8) O(3) C(10) C(9) -69.7(2) . . . 2_666 yes
O(1) C(1) C(2) C(3) -179.5(4) . . . . no
O(1) C(1) C(2) C(7) -0.6(1) . . . . no
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Type: null
Category: category_overview
