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Information card for entry 1564307
Preview
| Coordinates | 1564307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H10 O3 |
|---|---|
| Calculated formula | C6 H10 O3 |
| SMILES | OC(=O)C(C)(C)C(=O)C |
| Title of publication | Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides |
| Authors of publication | Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William |
| Journal of publication | Journal of Physical Chemistry |
| Year of publication | 2021 |
| Journal volume | 125 |
| Pages of publication | 3368 - 3384 |
| a | 9.5742 Å |
| b | 7.399 Å |
| c | 10.2346 Å |
| α | 90° |
| β | 107.188° |
| γ | 90° |
| Cell volume | 692.633 Å3 |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267878 (current) | 2021-08-01 | cif/ Adding structures of 1564307 via cif-deposit CGI script. |
1564307.cif |
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