Information card for entry 7200258

Structure parameters

• Common name: (2-fluoro-PhC(CN)(=NOH))2, 1,2-di(4-pyridyl)ethene
• Chemical name: [2-fluoro-PhC(CN)(=NOH)]2, 1,2-di(4-pyridyl)ethene
• Formula: C28 H20 F2 N6 O2
• Calculated formula: C28 H20 F2 N6 O2
• Title of publication: Cyanooximes as effective and selective co-crystallizing agents
• Authors of publication: Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 439 - 443
• a: 3.8189 ± 0.0006 Å
• b: 11.2941 ± 0.0018 Å
• c: 14.107 ± 0.002 Å
• α: 98.884 ± 0.01°
• β: 93.147 ± 0.011°
• γ: 94.624 ± 0.01°
• Cell volume: 597.79 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No