Information card for entry 2231085

Structure parameters

• Chemical name: <i>N</i>-(Quinolin-8-yl)ferrocene-1-carboxamide
• Formula: C20 H16 Fe N2 O
• Calculated formula: C20 H16 Fe N2 O
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)Nc1cccc2c1nccc2)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: <i>N</i>-(Quinolin-8-yl)ferrocene-1-carboxamide
• Authors of publication: Li, Xia; Du, Ling-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1113
• a: 10.168 ± 0.0017 Å
• b: 12.133 ± 0.002 Å
• c: 26.079 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3217.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes