Information card for entry 2224602

Structure parameters

• Chemical name: 2-(4-Nitrophenyl)-5-phenylfuran
• Formula: C16 H11 N O3
• Calculated formula: C16 H11 N O3
• SMILES: o1c(c2ccc(N(=O)=O)cc2)ccc1c1ccccc1
• Title of publication: 2-(4-Nitrophenyl)-5-phenylfuran
• Authors of publication: Guan, Zhi; He, Yan-hong; Wang, Gangqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o128
• a: 7.3213 ± 0.0015 Å
• b: 16.29 ± 0.003 Å
• c: 10.904 ± 0.002 Å
• α: 90°
• β: 100.81 ± 0.03°
• γ: 90°
• Cell volume: 1277.4 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes