Information card for entry 2008033

Structure parameters

• Chemical name: 3-Ferrocenyl-2-phenyl-6-nitroquinoxaline
• Formula: C24 H17 Fe N3 O2
• Calculated formula: C24 H17 Fe N3 O2
• Title of publication: 3-Ferrocenyl-6-nitro-2-phenylquinoxaline: Cyclic Centrosymmetric Dimers Depending on both C—H···O Hydrogen Bonds and π-π Stacking Interactions
• Authors of publication: Ahmed, S. Zaka; Ferguson, George; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1839 - 1842
• a: 8.322 ± 0.0007 Å
• b: 12.5682 ± 0.0011 Å
• c: 18.6853 ± 0.0018 Å
• α: 94.663 ± 0.008°
• β: 96.98 ± 0.007°
• γ: 95.479 ± 0.006°
• Cell volume: 1922.4 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.067
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No