Information card for entry 2005619

Structure parameters

• Chemical name: (SS*,1S*,2R*)-1-(Hydroxymethyl)-2-(p-toluenesulfinyl)ferrocene
• Formula: C18 H18 Fe O2 S
• Calculated formula: C18 H18 Fe O2 S
• Title of publication: (S<i>S</i>*,1<i>S</i>*,2<i>R</i>*)-1-(Hydroxymethyl)-2-(<i>p</i>-tolylsulfinyl)ferrocene
• Authors of publication: Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Chen, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2757 - 2760
• a: 7.9286 ± 0.0016 Å
• b: 9.7444 ± 0.0014 Å
• c: 20.756 ± 0.003 Å
• α: 90°
• β: 93.173 ± 0.014°
• γ: 90°
• Cell volume: 1601.1 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.19
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No