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Information card for entry 1519185
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| Coordinates | 1519185.cif |
|---|
| Formula | C26 H26 Br N O |
|---|---|
| Calculated formula | C26 H26 Br N O |
| SMILES | Br[C@@H](C(=O)N(c1c2ccc(c1)CCc1ccc(CC2)cc1)C)Cc1ccccc1 |
| Title of publication | C26H26BrNO |
| Authors of publication | Pelter, Andy; Hibbs, Dai E.; Hursthouse, Michael B |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1997 |
| Pages of publication | 791 |
| a | 8.028 ± 0.003 Å |
| b | 10.396 ± 0.002 Å |
| c | 24.955 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2082.7 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for all reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.0468 |
| Goodness-of-fit parameter for all reflections | 0.47 |
| Goodness-of-fit parameter for significantly intense reflections | 0.654 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519185.cif |
| 135501 | 2015-05-04 | cif/ Adding structures of 1519185 via cif-deposit CGI script. |
1519185.cif |
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Users of the data should acknowledge the original authors of the
structural data.