Information card for entry 2212496

Structure parameters

• Chemical name: Diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]oxazol-3(1H)-one
• Formula: C18 H17 N O2
• Calculated formula: C18 H17 N O2
• SMILES: O=C1OC([C@H]2N1CCC2)(c1ccccc1)c1ccccc1
• Title of publication: Diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-<i>c</i>]oxazol-3(1<i>H</i>)-one
• Authors of publication: Wang, Bing-Tao; Yue, Hua-Dong; Luo, Shu-Ping; Xu, Dan-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1108 - o1109
• a: 9.412 ± 0.0012 Å
• b: 9.7918 ± 0.0012 Å
• c: 15.996 ± 0.002 Å
• α: 90°
• β: 97.254 ± 0.002°
• γ: 90°
• Cell volume: 1462.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.351
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes