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Compare Experimental Geometries - experimental data

Species Name
C5H8 Spiropentane
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
rCH 1.105 2017San/Eri:4923-4929   2 6   
rCC 1.482 2017San/Eri:4923-4929   1 2   
rCC 1.557 2017San/Eri:4923-4929   2 3   
aHCH 113.7 2017San/Eri:4923-4929   6 2 7  
aHCC 118.7 2017San/Eri:4923-4929   1 2 6  
aHCC 118.3 2017San/Eri:4923-4929   2 3 8  
aCCC 63.4 2017San/Eri:4923-4929   2 1 3  

picture of
2017San/Eri:4923-4929 JW Sandwisch, BA Erikson, K Hedberg, JW Niber "Combined Electron-Diffraction and Spectroscopic Determination of the Structure of Spiropentane, C5H8" J. Phys. Chem. A 121, 2017, 4923-4929