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Compare Experimental Geometries - experimental data

Species Name
C10H10 bullvalene
The following table lists the experimentally determined internal coordinates. Coordinate descriptions starting with "r" are bond lengths, starting with "a" are bond angles, and starting with "d" are dihedral angles. Atom numbers are the numbers on the picture of the molecule below to indicate which atoms are invloved in the bond or angle.
Units: bond lengths are in Å, angles are in degrees.
description Value Reference Comment Atom number
rCC 1.523 1971And/Mar:1271-1276   1 3   
rCC 1.346 1971And/Mar:1271-1276   3 6   
rCC 1.465 1971And/Mar:1271-1276   6 9   
rCC 1.542 1971And/Mar:1271-1276   9 10   
rCH 1.111 1971And/Mar:1271-1276 average 1 2   
aCCC 122.6 1971And/Mar:1271-1276   1 3 6  
aHCC 107.5 1971And/Mar:1271-1276 C3 axis to C1-C3 bond 72.5 2 1 3  

picture of
References
squibreference
1971And/Mar:1271-1276 B Andersen, A Marstrander "The Molecular Structure of Tricyclo(3.3.2.04,6) deca-2,7,9-triene (Bullvalene) in the Vapour Phase" Acta Chemica Scandinavica 25, (1971) 1271-1276