![]() |
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 |
---|---|
H2CCCCH2 | Butatriene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.083 | 1976Hellwege(II/7) | 3 | 5 | |||
rCC | 1.318 | 1976Hellwege(II/7) | 1 | 3 | |||
rCC | 1.283 | 1976Hellwege(II/7) | 1 | 2 | |||
aHCH | 117.0 | 1976Hellwege(II/7) | !assumed | 5 | 3 | 6 | |
aHCC | 121.5 | 1976Hellwege(II/7) | by symmetry | 1 | 3 | 5 |
squib | reference |
---|---|
1976Hellwege(II/7) | Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976. |