Information card for entry 1542511

Structure parameters

• Chemical name: <i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide
• Formula: C19 H19 Fe N O
• Calculated formula: C19 H19 Fe N O
• SMILES: [Fe]12345678([c]9([cH]1[cH]3[cH]4[cH]29)CN(c1ccccc1)C(=O)C)[cH]1[cH]5[cH]8[cH]6[cH]71
• Title of publication: <i>N</i>-Ferrocenymethyl-<i>N</i>-phenylacetamide
• Authors of publication: Khelef, Abdelhamid; Mahboub, Mohammed Sadok; Lanez, Touhami
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 2
• Pages of publication: x160203
• a: 7.344 ± 0.001 Å
• b: 14.831 ± 0.001 Å
• c: 15.267 ± 0.001 Å
• α: 79.094 ± 0.01°
• β: 79.627 ± 0.01°
• γ: 87.508 ± 0.01°
• Cell volume: 1606.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes