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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name |
---|---|
C7H8 | Norbornadiene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.530 | 1993Knu/Gra:10845 | 2 | 4 | |||
rCC | 1.557 | 1993Knu/Gra:10845 | 1 | 2 | |||
rCC | 1.336 | 1993Knu/Gra:10845 | 4 | 5 | |||
rHC | 1.090 | 1993Knu/Gra:10845 | 2 | 10 | |||
rHC | 1.081 | 1993Knu/Gra:10845 | 4 | 12 | |||
rHC | 1.095 | 1993Knu/Gra:10845 | 1 | 8 | |||
aCCC | 107.1 | 1993Knu/Gra:10845 | 2 | 4 | 5 | ||
aCCC | 91.9 | 1993Knu/Gra:10845 | 2 | 1 | 3 | ||
aCCC | 107.6 | 1993Knu/Gra:10845 | 4 | 2 | 6 | ||
aCCC | 98.3 | 1993Knu/Gra:10845 | 1 | 2 | 4 | ||
aHCC | 117.7 | 1993Knu/Gra:10845 | 1 | 2 | 10 | ||
aHCC | 127.8 | 1993Knu/Gra:10845 | 4 | 5 | 13 | ||
aHCH | 112.0 | 1993Knu/Gra:10845 | 8 | 1 | 9 |
squib | reference |
---|---|
1993Knu/Gra:10845 | G Knuchel, G Grassi, B Vogelsanger, A Bauder "Molecular Structure of Norbornadiene as Determined by Microwave Fourier Transform Spectroscopy" J. Am. Chem. Soc. 1993, 115, 10845-10848 |