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Compare Experimental Geometries - experimental data

Species Name
C5H6 Propellane
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 1.525 1985Hed/Hed:7257 ax-eq 1 2   
rCC 1.596 1985Hed/Hed:7257 ax-ax 2 5   
rCH 1.106 1985Hed/Hed:7257   1 6   
aHCH 116.0 1985Hed/Hed:7257   6 1 7  
aHCC 116.9 1985Hed/Hed:7257 Cax - Ceq - H 2 1 6  
aCCC 95.1 1985Hed/Hed:7257 Ceq - Cax - Ceq 1 2 3  
aCCC 63.1 1985Hed/Hed:7257 Cax - Ceq - Cax 2 1 5  

picture of
References
squibreference
1985Hed/Hed:7257 L Hedberg, K Hedberg "The Molecular Structure of Gaseous [1.1.1]Propellane: An Electron-Difraction Investigation" J. Am. Chem. Soc. 1985, 107, 7257-7260