Information card for entry 2101423

Structure parameters

• Common name: 1-Ferrocenyl-2-phenylethanol
• Chemical name: 1-Ferrocenyl-2-phenylethanol
• Formula: C18 H18 Fe O
• Calculated formula: C18 H18 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: 9.8589 ± 0.0007 Å
• b: 15.28 ± 0.0017 Å
• c: 19.1399 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883.3 ± 0.5 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P n a a
• Hall space group symbol: -P 2ac 2bc
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No