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Information card for entry 7245270
Preview
| Coordinates | 7245270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (S)-Nicotinium Orotate Hemihydrate |
|---|---|
| Formula | C30 H38 N8 O9 |
| Calculated formula | C30 H38 N8 O9 |
| Title of publication | Transforming liquid nicotine into a stable solid through crystallization with orotic acid |
| Authors of publication | Angevine, Devin J.; Camacho, Kristine Joy; Rzayev, Javid; Benedict, Jason B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 6.9489 ± 0.0007 Å |
| b | 9.7256 ± 0.001 Å |
| c | 23.026 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1556.1 ± 0.3 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 17 |
| Hermann-Mauguin space group symbol | P 2 2 21 |
| Hall space group symbol | P 2c 2 |
| Residual factor for all reflections | 0.053 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277084 (current) | 2022-08-06 | cif/ Adding structures of 7245270 via cif-deposit CGI script. |
7245270.cif |
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