Information card for entry 2241014

Structure parameters

• Chemical name: 5-Benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile
• Formula: C24 H17 N O2
• Calculated formula: C24 H17 N O2
• SMILES: O1C(=C([C@H]([C@@H]1C(=O)c1ccccc1)c1ccccc1)C#N)c1ccccc1.O1C(=C([C@@H]([C@H]1C(=O)c1ccccc1)c1ccccc1)C#N)c1ccccc1
• Title of publication: Crystal structure of 5-benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile
• Authors of publication: Rajni Swamy, V.; Krishnakumar, R.V.; Sivakumar, S.; Srinivasan, N.; Ranjith Kumar, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o663 - o664
• a: 10.0704 ± 0.0007 Å
• b: 15.7994 ± 0.0012 Å
• c: 11.8632 ± 0.0009 Å
• α: 90°
• β: 98.886 ± 0.003°
• γ: 90°
• Cell volume: 1864.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1255
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes