Information card for entry 3000315

Structure parameters

• Chemical name: (R,Sp)-1-(2-(5-fluoro-1-methylindolin-2-yl)ferrocenyl)-N,N-dimethylethan-1-amine
• Formula: C23 H25 F Fe N2
• Authors of publication: Rakovský, Erik; Šebesta, Radovan
• Journal of publication: To be published
• a: 9.9977 ± 0.0002 Å
• b: 11.1321 ± 0.0003 Å
• c: 17.8135 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1982.56 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0575
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No