Information card for entry 2214883

Structure parameters

• Chemical name: (3S)-4-phenyl-3-(phenylaminooxy)butan-2-one
• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: O=C([C@H](ONc1ccccc1)Cc1ccccc1)C
• Title of publication: (3<i>S</i>)-4-Phenyl-3-(phenylaminooxy)butan-2-one
• Authors of publication: Yang, Li; Fang, Hua; Zheng, Hu; Weng, Ling-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3568 - o3568
• a: 5.595 ± 0.0017 Å
• b: 15.847 ± 0.005 Å
• c: 16.156 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1432.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes