Information card for entry 2234824

Structure parameters

• Chemical name: (±)-<i>trans</i>-5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-phenyl-4,5- dihydrofuran-3-carbonitrile
• Formula: C26 H18 N2 O2
• Calculated formula: C26 H18 N2 O2
• SMILES: C(#N)C1=C(c2c3ccccc3[nH]c2)O[C@@H]([C@H]1c1ccccc1)C(=O)c1ccccc1.C(#N)C1=C(c2c3ccccc3[nH]c2)O[C@H]([C@@H]1c1ccccc1)C(=O)c1ccccc1
• Title of publication: (±)-<i>trans</i>-5-Benzoyl-2-(1<i>H</i>-indol-3-yl)-4-phenyl-4,5-dihydrofuran-3-carbonitrile
• Authors of publication: Suresh, J.; Vishnupriya, R.; Gunasekaran, P.; Perumal, S.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1576
• a: 12.4027 ± 0.0005 Å
• b: 8.3722 ± 0.0004 Å
• c: 19.7472 ± 0.0008 Å
• α: 90°
• β: 107.57 ± 0.002°
• γ: 90°
• Cell volume: 1954.85 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes