Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
---|---|
C5H8 | Cyclopentene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.085 | 1976Hellwege(II/7) | !assumed, C has = | 4 | 10 | ||
rCH | 1.095 | 1976Hellwege(II/7) | !assumed | 1 | 6 | ||
rCC | 1.540 | 1976Hellwege(II/7) | !assumed | 1 | 2 | ||
rCC | 1.350 | 1976Hellwege(II/7) | !assumed | 4 | 5 | ||
rCC | 1.518 | 1976Hellwege(II/7) | one C has = | 2 | 4 | ||
aHCH | 109.5 | 1976Hellwege(II/7) | !assumed | 6 | 1 | 7 | |
aCCC | 106.3 | 1976Hellwege(II/7) | 2 | 1 | 3 | ||
dCCCCC | 22.3 | 1976Hellwege(II/7) | angle between the CCC plane and the CC=CC plane | 2 | 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. |