Information card for entry 2312107

Structure parameters

• Chemical name: <i>rac</i>-1-(4-<i>tert</i>-Butylphenyl)-5-ethyl-4-ferrocenyl-\ 5-hydroxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one
• Formula: C26 H29 Fe N O2
• Calculated formula: C26 H29 Fe N O2
• Title of publication: <i>rac</i>-1-(4-<i>tert</i>-Butyl-phen-yl)-5-ethyl-4-ferrocenyl-5-hy-droxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one.
• Authors of publication: Biletzki, Tobias; Görls, Helmar; Imhof, Wolfgang
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 264 - 266
• a: 15.7256 ± 0.0005 Å
• b: 7.0155 ± 0.0002 Å
• c: 20.0725 ± 0.0006 Å
• α: 90°
• β: 101.242 ± 0.002°
• γ: 90°
• Cell volume: 2171.97 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.1219
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes