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 |
---|---|
C4H2O3 | Maleic Anhydride |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.485 | 2010Vog/Alt:153 | 2 | 5 | |||
rCC | 1.332 | 2010Vog/Alt:153 | 6 | 7 | |||
rCO | 1.386 | 2010Vog/Alt:153 | 1 | 2 | |||
rCO | 1.192 | 2010Vog/Alt:153 | 2 | 4 | |||
rCH | 1.078 | 2010Vog/Alt:153 | assumed | 5 | 8 | ||
aCCC | 107.8 | 2010Vog/Alt:153 | 2 | 6 | 7 | ||
aCCO | 129.2 | 2010Vog/Alt:153 | 4 | 2 | 6 | ||
aHCC | 129.7 | 2010Vog/Alt:153 | assumed | 6 | 7 | 9 | |
aCCO | 108.2 | 2010Vog/Alt:153 | 1 | 2 | 6 | ||
aCOC | 107.9 | 2010Vog/Alt:153 | 2 | 1 | 3 | ||
aOCO | 122.6 | 2010Vog/Alt:153 | 1 | 2 | 4 |
squib | reference |
---|---|
2010Vog/Alt:153 | N Vogt, EP Altova, NM Karasev "Equilibrium structure of maleic anhydride from gas-phase electron difraction (GED) and quantum-chemical studies" Journal of Molecular Structure 978 (2010) 153-157 |