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Information card for entry 8107251
Preview
| Coordinates | 8107251.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 O2 |
|---|---|
| Calculated formula | C19 H18 O2 |
| Title of publication | Crystal structure of 2-(tert-pentyl)anthracene-9,10-dione, C19H18O2 |
| Authors of publication | Li, Chongyu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 917 - 919 |
| a | 11.017 ± 0.005 Å |
| b | 12.14 ± 0.005 Å |
| c | 23.346 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3122 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0771 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283957 (current) | 2023-05-23 | cif/ Adding structures of 8107251 via cif-deposit CGI script. |
8107251.cif |
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Users of the data should acknowledge the original authors of the
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