Information card for entry 2207230

Structure parameters

• Common name: N-(1-phenylethyl)-1-ferrocenylbenzylamine
• Chemical name: α-Ferrocenyl-N-(1-phenylethyl)benzylamine
• Formula: C25 H25 Fe N
• Calculated formula: C25 H25 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](C)c1ccccc1)c1ccccc1
• Title of publication: α-Ferrocenyl-<i>N</i>-(1-phenylethyl)benzylamine
• Authors of publication: Yin, Zhi-Gang; Qian, Heng-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2351 - m2352
• a: 8.0109 ± 0.0016 Å
• b: 8.7198 ± 0.0017 Å
• c: 28.718 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2006.1 ± 0.7 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: 0.0864
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes