| |
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 > Experimental Geometries OR Experimental > Geometry > Experimental Geometries | |
| A | B | C |
|---|---|---|
| 0.35582 |
| Description | Value | Connectivity | Reference | Comment | |||
|---|---|---|---|---|---|---|---|
| Atom 1 | Atom 2 | Atom 3 | Atom 4 | ||||
| rCC | 1.555 | 1 | 3 | 1998Kuc | |||
| rCH | 1.093 | 1 | 5 | 1998Kuc | axial H | ||
| rCH | 1.091 | 1 | 6 | 1998Kuc | equatorial H | ||
| aHCC | 119.93 | 1 | 3 | 10 | 1998Kuc | axial | |
| aHCC | 130.74 | 1 | 3 | 9 | 1998Kuc | equatorial | |
| dCCCC | 27.5 | 1 | 3 | 2 | 4 | 1987Ega/Fuk:6018 | |
| Bond Type | Count |
|---|---|
| H-C | 8 |
| C-C | 4 |
| Atom | x (Å) | y (Å) | z (Å) |
|---|
| squib | reference | DOI |
|---|---|---|
| 1987Ega/Fuk:6018 | T Egawa, T Fukuyama, S Yamamoto, F Tkabayashi, H Kambara, T Ueda, K Kuchitsu "Molecular structure and puckering potential function of cyclobutane studied by gas electron diffraction and infrared spectroscopy" J. Chem. Phys. 86(11), 6018, 1987 | 10.1063/1.452489 |
| 1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 | 10.1007/978-3-642-45748-7 |
Got a better number? Please email us at
[email protected]
| Browse | |
|---|---|
| Previous | Next |