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Information card for entry 7132209
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| Coordinates | 7132209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ferrocenyl |
|---|---|
| Chemical name | 9-Bromo-10-ferrocenylanthracene |
| Formula | C24 H17 Br Fe |
| Calculated formula | C24 H17 Br Fe |
| SMILES | Brc1c2ccccc2c(c2ccccc12)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91 |
| Title of publication | The unexpected effect of ferrocenyl substituents on the photochemistry of dianthryl sulfoxides. |
| Authors of publication | Removski, Nicole; Wolf, Michael O. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| a | 10.024 ± 0.002 Å |
| b | 14.043 ± 0.003 Å |
| c | 12.112 ± 0.002 Å |
| α | 90° |
| β | 97.624 ± 0.006° |
| γ | 90° |
| Cell volume | 1689.9 ± 0.6 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| 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 | 0.0292 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0513 |
| Weighted residual factors for all reflections included in the refinement | 0.0538 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286962 (current) | 2023-10-14 | cif/ Adding structures of 7132208, 7132209 via cif-deposit CGI script. |
7132209.cif |
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