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Information card for entry 7227920
Preview
| Coordinates | 7227920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H13 N O3 |
|---|---|
| Calculated formula | C15 H13 N O3 |
| Title of publication | Curved fractal structures of pyridine-substituted β-diketone crystals |
| Authors of publication | Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 2283 |
| a | 3.8841 ± 0.0002 Å |
| b | 11.6062 ± 0.0006 Å |
| c | 27.622 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1245.19 ± 0.11 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7227920.cif |
| 196375 | 2017-05-06 | cif/ Updating files of 7227918, 7227919, 7227920 Original log message: Adding full bibliography for 7227918--7227920.cif. |
7227920.cif |
| 194436 | 2017-03-23 | cif/ Adding structures of 7227918, 7227919, 7227920 via cif-deposit CGI script. |
7227920.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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Users of the data should acknowledge the original authors of the
structural data.