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 |
---|---|
C3H6S3 | 1,3,5-Trithiane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCS | 1.801 | 2002Ant/Les:125 | 1 | 4 | |||
aCSC | 99.4 | 2002Ant/Les:125 | 1 | 4 | 2 | ||
aSCS | 116.5 | 2002Ant/Les:125 | 4 | 2 | 5 | ||
aHCS | 112.8 | 2002Ant/Les:125 | equitorial H | 4 | 1 | 10 | |
aHCS | 107.5 | 2002Ant/Les:125 | H axial | 4 | 1 | 7 | |
rCH | 1.114 | 1989Ben/Kuc:953 | 1 | 7 |
squib | reference |
---|---|
1989Ben/Kuc:953 | Z Bencze, A Kucsman, G Schultz, I Hargittai "The molecular Structure of 1,3,5-Trithiane from Electron Diffraction" Acta Chemica Scandinavica 43 (1989) 953-956 |
2002Ant/Les:125 | S Antolinez, A Lesarri, S Mata, S Blanco, JC Lopez "Jet-cooled rotational spectrum of laser-ablated 1,3,5-trithiane" J. Mol. Struct. 612 (2002) 125-131 |