Information card for entry 2238460

Structure parameters

• Chemical name: (2-<i>tert</i>-Butyl-3-phenyl-2,3-dihydroisoxazole-4,5-diyl)bis(phenylmethanone)
• Formula: C27 H25 N O3
• Calculated formula: C27 H25 N O3
• SMILES: O=C(c1ccccc1)C1=C(C(N(O1)C(C)(C)C)c1ccccc1)C(=O)c1ccccc1
• Title of publication: (2-<i>tert</i>-Butyl-3-phenyl-2,3-dihydroisoxazole-4,5-diyl)bis(phenylmethanone)
• Authors of publication: Sandhya, R.; Sithambaresan, M.; Prathapan, S.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1284 - o1285
• a: 20.1034 ± 0.0012 Å
• b: 17.799 ± 0.001 Å
• c: 6.1366 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2195.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes