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Information card for entry 2101421
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| Coordinates | 2101421.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C21 H24 Fe O |
|---|---|
| Calculated formula | C21 H23 Fe O |
| Title of publication | Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol |
| Authors of publication | Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 1 |
| Pages of publication | 110 - 121 |
| a | 8.007 ± 0.004 Å |
| b | 13.002 ± 0.002 Å |
| c | 66.24 ± 0.01 Å |
| α | 90° |
| β | 91.96 ± 0.03° |
| γ | 90° |
| Cell volume | 6892 ± 4 Å3 |
| Cell temperature | 293 ± 1 K |
| Ambient diffraction temperature | 293.2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.072 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Goodness-of-fit parameter for significantly intense reflections | 3.71 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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