Information card for entry 2234674

Structure parameters

• Chemical name: <i>N</i>-Ferrocenymethyl-<i>N</i>-phenylpropionamide
• Formula: C20 H21 Fe N O
• Calculated formula: C20 H21 Fe N O
• SMILES: [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[c]8([cH]7[cH]6[cH]51)CN(C(=O)CC)c1ccccc1
• Title of publication: <i>N</i>-Ferrocenymethyl-<i>N</i>-phenylpropionamide
• Authors of publication: Khelef, Abdelhamid; Terki, Belgacem; Mahboub, Mohammed Sadok; Lanez, Touhami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m647
• a: 13.243 ± 0.005 Å
• b: 7.983 ± 0.005 Å
• c: 15.248 ± 0.005 Å
• α: 90°
• β: 94.873 ± 0.005°
• γ: 90°
• Cell volume: 1606.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes