Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7214764
Preview
| Coordinates | 7214764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H13 N O6 |
|---|---|
| Calculated formula | C10 H13 N O6 |
| Title of publication | Structural phase transitions induced by molecular motions within an (anilinium)(l-tartrate) ionic molecular crystal |
| Authors of publication | Yoshii, Yuuya; Hoshino, Norihisa; Nakamura, Takayoshi; Akutagawa, Tomoyuki |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 21 |
| Pages of publication | 7458 |
| a | 6.1165 ± 0.0008 Å |
| b | 7.466 ± 0.0012 Å |
| c | 12.9602 ± 0.0017 Å |
| α | 86.758 ± 0.005° |
| β | 76.883 ± 0.004° |
| γ | 70.706 ± 0.005° |
| Cell volume | 543.91 ± 0.13 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7214764.cif |
| 180478 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/47. |
7214764.cif |
| 110965 | 2014-04-20 | cif/ Adding structures of 7214764, 7214765, 7214766 via cif-deposit CGI script. |
7214764.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.