Information card for entry 2207555

Structure parameters

• Common name: alpha-Ferrocenyl-N-(1-phenylethyl)ethylamine
• Chemical name: 1-Ferrocenyl-N-(1-phenylethyl)ethylamine
• Formula: C20 H23 Fe N
• Calculated formula: C20 H23 Fe N
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81[C@@H](N[C@H](c1ccccc1)C)C
• Title of publication: 1-Ferrocenyl-<i>N</i>-(1-phenylethyl)ethylamine
• Authors of publication: Qian, Heng-Yu; Cui, Xiu-Ling; Yin, Zhi-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2641 - m2642
• a: 7.3401 ± 0.0015 Å
• b: 11.688 ± 0.002 Å
• c: 19.841 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1702.2 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes