Information card for entry 2004708

Structure parameters

• Chemical name: 2-Ferrocenyl-3-phenylquinoxaline
• Formula: C24 H18 Fe N2
• Calculated formula: C24 H18 Fe N2
• SMILES: [Fe]12345678([c]9(c%10nc%11c(nc%10c%10ccccc%10)cccc%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: 2-Ferrocenyl-3-phenylquinoxaline
• Authors of publication: Glidewell, C.; Scott, J. P.; Ferguson, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 770 - 773
• a: 20.455 ± 0.002 Å
• b: 8.528 ± 0.0008 Å
• c: 20.338 ± 0.002 Å
• α: 90°
• β: 92.237 ± 0.007°
• γ: 90°
• Cell volume: 3545.1 ± 0.6 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.0823
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No