Information card for entry 7115968

Structure parameters

• Formula: C25 H25 Fe N
• Calculated formula: C25 H25 Fe N
• SMILES: [Fe]12345678([c]9([cH]3[cH]4[cH]2[cH]19)[C@H](c1ccccc1)c1ccc(N(C)C)cc1)[cH]1[cH]5[cH]8[cH]7[cH]61
• Title of publication: Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage
• Authors of publication: Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14531
• a: 6.0693 ± 0.0003 Å
• b: 17.2089 ± 0.0011 Å
• c: 19.2688 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2012.55 ± 0.19 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: 0.0586
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No