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 |
---|---|
C10H10 | bullvalene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.523 | 1971And/Mar:1271-1276 | 1 | 3 | |||
rCC | 1.346 | 1971And/Mar:1271-1276 | 3 | 6 | |||
rCC | 1.465 | 1971And/Mar:1271-1276 | 6 | 9 | |||
rCC | 1.542 | 1971And/Mar:1271-1276 | 9 | 10 | |||
rCH | 1.111 | 1971And/Mar:1271-1276 | average | 1 | 2 | ||
aCCC | 122.6 | 1971And/Mar:1271-1276 | 1 | 3 | 6 | ||
aHCC | 107.5 | 1971And/Mar:1271-1276 | C3 axis to C1-C3 bond 72.5 | 2 | 1 | 3 |
squib | reference |
---|---|
1971And/Mar:1271-1276 | B Andersen, A Marstrander "The Molecular Structure of Tricyclo(3.3.2.04,6) deca-2,7,9-triene (Bullvalene) in the Vapour Phase" Acta Chemica Scandinavica 25, (1971) 1271-1276 |