Information card for entry 2225287

Structure parameters

• Chemical name: <i>N</i>-(Ferrocenylmethyl)dodecan-1-amine
• Formula: C23 H37 Fe N
• Calculated formula: C23 H37 Fe N
• SMILES: CCCCCCCCCCCCNC[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: <i>N</i>-(Ferrocenylmethyl)dodecan-1-amine
• Authors of publication: Sun, Li-Zhen; An, Wei; Zhang, Hua-Cheng; Xin, Fei-Fei; Hao, Ai-You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m301
• a: 26.7005 ± 0.0006 Å
• b: 8.0549 ± 0.0002 Å
• c: 10.0069 ± 0.0002 Å
• α: 90°
• β: 97.534 ± 0.001°
• γ: 90°
• Cell volume: 2133.6 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes