Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7224237
Preview
| Coordinates | 7224237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 221 GASM THF solvate |
|---|---|
| Formula | C13 H15 N O7.5 |
| Calculated formula | C13 H15 N O7.5 |
| SMILES | C(=O)(c1cc(c(c(c1)O)O)O)O.C1CC(=O)NC1=O.C1CCCO1 |
| Title of publication | A gallic acid–succinimide co-crystal landscape: polymorphism, pseudopolymorphism, variable stoichiometry co-crystals and concomitant growth of non-solvated and solvated co-crystals |
| Authors of publication | Kaur, Ramanpreet; Cherukuvada, Suryanarayan; Managutti, Praveen B.; Row, Tayur N. Guru |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 18 |
| Pages of publication | 3191 |
| a | 5.927 ± 0.005 Å |
| b | 8.342 ± 0.005 Å |
| c | 13.899 ± 0.005 Å |
| α | 79.829 ± 0.005° |
| β | 84.029 ± 0.005° |
| γ | 77.411 ± 0.005° |
| Cell volume | 658.6 ± 0.7 Å3 |
| Cell temperature | 110 ± 0.1 K |
| Ambient diffraction temperature | 110 ± 0.1 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 all reflections | 0.0558 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224237.cif |
| 182636 | 2016-05-06 | cif/ Updating files of 7224231, 7224232, 7224233, 7224234, 7224235, 7224236, 7224237 Original log message: Adding full bibliography for 7224231--7224237.cif. |
7224237.cif |
| 182221 | 2016-04-20 | cif/7 Fixing Z values and formulae |
7224237.cif |
| 176394 | 2016-02-12 | cif/ Adding structures of 7224231, 7224232, 7224233, 7224234, 7224235, 7224236, 7224237 via cif-deposit CGI script. |
7224237.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.