Information card for entry 2010136

Structure parameters

• Common name: 4,4-Dimethyl-3-oxo-2-pivaloylpentylferrocene
• Formula: C22 H30 Fe O2
• Calculated formula: C22 H30 Fe O2
• Title of publication: 4-(Ferrocenylmethyl)-2,2,6,6-tetramethyl-3,5-heptanedione, a non-enolized 1,3-diketone
• Authors of publication: Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1673 - 1676
• a: 5.8899 ± 0.0006 Å
• b: 11.7768 ± 0.0012 Å
• c: 15.2335 ± 0.0016 Å
• α: 72.611 ± 0.009°
• β: 88.277 ± 0.012°
• γ: 82.632 ± 0.012°
• Cell volume: 1000 ± 0.19 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.0805
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71067 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No