Information card for entry 1519468

Structure parameters

• Formula: C32 H25 N3 O3
• Calculated formula: C32 H25 N3 O3
• SMILES: N(c1ccccc1)C(=O)c1oc(c(c1c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1.CC#N
• Title of publication: 3,4-Diphenyl-furan-2,5-dicarboxylic acid bis-phenylamide acetonitrile solvate
• Authors of publication: Warriner, C. N.; Camiolo, S.; Gale, Phil A.; Hursthouse, Michael B.; Light, Mark E.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 28
• a: 8.8334 ± 0.0002 Å
• b: 15.6053 ± 0.0004 Å
• c: 19.0971 ± 0.0007 Å
• α: 90°
• β: 102.447 ± 0.001°
• γ: 90°
• Cell volume: 2570.62 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No