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Information card for entry 1571244
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| Coordinates | 1571244.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 10-Bromo-<i>N</i>,<i>N</i>-diphenylanthracen-9-amine |
|---|---|
| Formula | C26 H18 Br N |
| Calculated formula | C26 H18 Br N |
| SMILES | Brc1c2c(c(N(c3ccccc3)c3ccccc3)c3c1cccc3)cccc2 |
| Title of publication | 10-Bromo-N,N-diphenylanthracen-9-amine |
| Authors of publication | Sureshkumar, K.; Khamrang, Themmila; Hemamalini, Madhukar; Saravanan, Dhandayutham; Antony, G. Jerald Maria |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 3 |
| a | 8.489 ± 0.0012 Å |
| b | 16.4 ± 0.002 Å |
| c | 27.936 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3889.2 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0993 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290479 (current) | 2024-03-13 | cif/ Adding structures of 1571244 via cif-deposit CGI script. |
1571244.cif |
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Users of the data should acknowledge the original authors of the
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