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Information card for entry 8104553
Preview
| Coordinates | 8104553.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H9 Cl N2 O2 |
|---|---|
| Calculated formula | C17 H9 Cl N2 O2 |
| Title of publication | The crystal structure of 5-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2 |
| Authors of publication | Zhang, Wei; Zhang, Yu; Feng, Song-Hao; Wang, Jing-Jing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1155 - 1156 |
| a | 7.8944 ± 0.0004 Å |
| b | 8.0678 ± 0.0005 Å |
| c | 12.6285 ± 0.0009 Å |
| α | 74.627 ± 0.006° |
| β | 78.654 ± 0.005° |
| γ | 63.569 ± 0.005° |
| Cell volume | 691.58 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1292 |
| Weighted residual factors for all reflections included in the refinement | 0.1309 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272873 (current) | 2022-02-09 | cif/ Adding structures of 8104553 via cif-deposit CGI script. |
8104553.cif |
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Users of the data should acknowledge the original authors of the
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