Information card for entry 2225673

Structure parameters

• Chemical name: (<i>E</i>)-1-Ferrocenyl-3-(2-furyl)prop-2-en-1-one
• Formula: C17 H14 Fe O2
• Calculated formula: C17 H14 Fe O2
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81C(=O)/C=C/c1occc1
• Title of publication: (<i>E</i>)-1-Ferrocenyl-3-(2-furyl)prop-2-en-1-one
• Authors of publication: Liu, Yong-Hong; Guo, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m479
• a: 9.0677 ± 0.0013 Å
• b: 14.222 ± 0.002 Å
• c: 10.4846 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1352.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes