Information card for entry 2238149

Structure parameters

• Chemical name: 2-Methyl-1,1-diphenyl-2-[(4<i>S</i>)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
• Formula: C25 H25 N O2
• Calculated formula: C25 H25 N O2
• SMILES: OC(C(C1=N[C@H](CO1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: 2-Methyl-1,1-diphenyl-2-[(4<i>S</i>)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
• Authors of publication: Jia, Wen-Xiao; Hu, Yu-Lai; Huang, Dang-Feng; Niu, Teng; Ma, Yan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1022
• a: 9.5405 ± 0.0002 Å
• b: 10.943 ± 0.0009 Å
• c: 19.2901 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2013.92 ± 0.18 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: 0.0551
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes