Information card for entry 2001711

Structure parameters

• Common name: 1-Ferrocenyl-1-phenylethanol
• Chemical name: racemic 1-Ferrocenyl-1-phenylethanol
• Formula: C18 H18 Fe O
• Calculated formula: C18 H17.35 Fe O
• Title of publication: Structures of 1-ferrocenyl-1-phenylethanol, ferrocenyl(diphenyl)methanol and ferrocene-1,1'-diylbis(diphenylmethanol)
• Authors of publication: Ferguson, G.; Gallagher, J. F.; Glidewell, C.; Zakaria, C. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 967 - 971
• a: 13.7594 ± 0.0006 Å
• b: 5.9786 ± 0.0003 Å
• c: 17.843 ± 0.0012 Å
• α: 90°
• β: 106.115 ± 0.005°
• γ: 90°
• Cell volume: 1410.12 ± 0.14 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 all reflections: 0.04
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.034
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No