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Information card for entry 7229685
Preview
| Coordinates | 7229685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H7 N2 O3 |
|---|---|
| Calculated formula | C8 H7 N2 O3 |
| Title of publication | Formation of multi-component crystals with a series of pyridinium-carboxyacrylate zwitterions |
| Authors of publication | Lombard, Jean; Loots, Leigh; le Roex, Tanya; Haynes, Delia A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 1 |
| Pages of publication | 25 |
| a | 3.671 ± 0.003 Å |
| b | 7.594 ± 0.005 Å |
| c | 13.772 ± 0.01 Å |
| α | 95.723 ± 0.008° |
| β | 93.218 ± 0.008° |
| γ | 97.153 ± 0.008° |
| Cell volume | 378.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228933 (current) | 2019-11-17 | cif/ Updating files of 7229684, 7229685, 7229686, 7229687, 7229688, 7229689 Original log message: Adding full bibliography for 7229684--7229689.cif. |
7229685.cif |
| 204099 | 2017-12-09 | cif/ Adding structures of 7229684, 7229685, 7229686, 7229687, 7229688, 7229689 via cif-deposit CGI script. |
7229685.cif |
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Users of the data should acknowledge the original authors of the
structural data.