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Information card for entry 8107028
Preview
| Coordinates | 8107028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 O |
|---|---|
| Calculated formula | C24 H16 O |
| SMILES | c1(cc2ccc3cccc4ccc(c1)c2c34)C(=O)c1ccc(cc1)C |
| Title of publication | Crystal structure of 2-(4-methylbenzoyl)pyrene, C24H16O |
| Authors of publication | Ran, Zhang; Fang-Fang, Han; Li-Fang, Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 855 - 857 |
| a | 13.642 ± 0.003 Å |
| b | 10.787 ± 0.002 Å |
| c | 11.551 ± 0.002 Å |
| α | 90° |
| β | 110.73 ± 0.03° |
| γ | 90° |
| Cell volume | 1589.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282382 (current) | 2023-04-05 | cif/ Adding structures of 8107028 via cif-deposit CGI script. |
8107028.cif |
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