Information card for entry 2208464

Structure parameters

• Common name: {1-[N-methyl-N-(1-phenylethyl)amino]ethyl}ferrocene
• Chemical name: N-(1-Ferrocenylethyl)-N-(1-phenylethyl)methylamine
• Formula: C21 H25 Fe N
• Calculated formula: C21 H25 Fe N
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[CH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[c]81[C@H](N([C@@H](c1ccccc1)C)C)C
• Title of publication: <i>N</i>-(1-Ferrocenylethyl)-<i>N</i>-(1-phenylethyl)methylamine
• Authors of publication: Yin, Zhi-Gang; Qian, Heng-Yu; Jia, Jia; Zhang, Chun-Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: m511 - m512
• a: 5.8833 ± 0.0012 Å
• b: 10.748 ± 0.002 Å
• c: 14.191 ± 0.003 Å
• α: 90°
• β: 97.82 ± 0.03°
• γ: 90°
• Cell volume: 889 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes