Information card for entry 2239395

Structure parameters

• Chemical name: [2-Benzyl-3-(naphthalen-1-yl)-2,3-dihydro-1,2-oxazole-4,5-diyl]bis(phenylmethanone)
• Formula: C34 H25 N O3
• Calculated formula: C34 H25 N O3
• SMILES: O=C(c1ccccc1)C1=C(C(N(O1)Cc1ccccc1)c1c2ccccc2ccc1)C(=O)c1ccccc1
• Title of publication: [2-Benzyl-3-(naphthalen-1-yl)-2,3-dihydro-1,2-oxazole-4,5-diyl]bis(phenylmethanone)
• Authors of publication: Sandhya, R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o354 - o355
• a: 14.4105 ± 0.001 Å
• b: 10.9408 ± 0.0009 Å
• c: 16.0924 ± 0.0013 Å
• α: 90°
• β: 94.235 ± 0.004°
• γ: 90°
• Cell volume: 2530.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0931
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes