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Information card for entry 8106248
Preview
| Coordinates | 8106248.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H10 O |
|---|---|
| Calculated formula | C17 H10 O |
| Title of publication | Crystal structure of pyrene-2-carbaldehyde, C17H10O |
| Authors of publication | Bao-Xi, Miao; Xin-Xue, Tang; Li-Fang, Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 655 - 657 |
| a | 8.1312 ± 0.0016 Å |
| b | 7.8252 ± 0.0016 Å |
| c | 17.231 ± 0.003 Å |
| α | 90° |
| β | 92.47 ± 0.03° |
| γ | 90° |
| Cell volume | 1095.4 ± 0.4 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 | 0.1034 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| 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 |
|---|---|---|---|
| 279554 (current) | 2022-11-25 | cif/ Adding structures of 8106248 via cif-deposit CGI script. |
8106248.cif |
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Users of the data should acknowledge the original authors of the
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