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Information card for entry 8107367
Preview
| Coordinates | 8107367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H17 N O |
|---|---|
| Calculated formula | C27 H17 N O |
| SMILES | O=C1c2c(C=C(n3c4ccccc4c4c3cccc4)c3c1cccc3)cccc2 |
| Title of publication | Crystal structure of 10-(9H-carbazol-9-yl)-5H-dibenzo[a,d][7]annelen-5-one, C27H17NO |
| Authors of publication | Li, Yunlu; Wang, Xinzhong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 111 - 112 |
| a | 9.8945 ± 0.0006 Å |
| b | 8.1838 ± 0.0005 Å |
| c | 12.2042 ± 0.0007 Å |
| α | 90° |
| β | 107.539 ± 0.006° |
| γ | 90° |
| Cell volume | 942.29 ± 0.1 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284472 (current) | 2023-06-15 | cif/ Adding structures of 8107367 via cif-deposit CGI script. |
8107367.cif |
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Users of the data should acknowledge the original authors of the
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