Information card for entry 2013607

Structure parameters

• Chemical name: N-(ferrocenylmethyl)anthracene-9-carboxamide
• Formula: C26 H21 Fe N O
• Calculated formula: C26 H21 Fe N O
• SMILES: [Fe]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[c]23CNC(=O)c1c2c(cc3c1cccc3)cccc2
• Title of publication: Intermolecular interactions in <i>N</i>-(ferrocenylmethyl)anthracene-9-carboxamide
• Authors of publication: Gallagher, John F.; Kelly, Paula N.; Kenny, Peter T. M.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m552 - m554
• a: 9.5904 ± 0.0003 Å
• b: 13.4903 ± 0.0005 Å
• c: 15.8568 ± 0.0005 Å
• α: 90°
• β: 106.603 ± 0.002°
• γ: 90°
• Cell volume: 1965.98 ± 0.12 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes