Information card for entry 2008170

Structure parameters

• Formula: C20 H12 N2 O4
• Calculated formula: C20 H12 N2 O4
• SMILES: c1(ccccc1/C=N/c1c(c(c(c2ccco2)o1)c1ccco1)C#N)O
• Title of publication: 2-Salicylideneamino-4,5-bis(2-furyl)furan-3-carbonitrile
• Authors of publication: Elmali, Ayhan; Kabak, Mehmet; Elerman, Yalc̨in
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 258 - 260
• a: 9.024 ± 0.003 Å
• b: 11.442 ± 0.002 Å
• c: 17.506 ± 0.003 Å
• α: 86.12 ± 0.01°
• β: 79.1 ± 0.02°
• γ: 68.33 ± 0.02°
• Cell volume: 1649.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1618
• Weighted residual factors for significantly intense reflections: 0.1162
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 0.987
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No