Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564305
Preview
| Coordinates | 1564305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H6 O3 |
|---|---|
| Calculated formula | C4 H6 O3 |
| 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 | 8.8991 Å |
| b | 9.1263 Å |
| c | 13.7411 Å |
| α | 102.509° |
| β | 94.403° |
| γ | 112.207° |
| Cell volume | 993.032 Å3 |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267957 (current) | 2021-08-05 | cif/ Updating files of 1564305 Original log message: added authors |
1564305.cif |
| 267876 | 2021-08-01 | cif/ Adding structures of 1564305 via cif-deposit CGI script. |
1564305.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.