Information card for entry 2218274

Structure parameters

• Chemical name: (<i>Z</i>)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diazabicyclo[4.2.0]octane- 2,4-dione
• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• SMILES: N1([C@H]2OC([C@]2(C(=O)N(C1=O)C)C)(c1ccccc1)c1ccccc1)C.N1([C@@H]2OC([C@@]2(C(=O)N(C1=O)C)C)(c1ccccc1)c1ccccc1)C
• Title of publication: (<i>Z</i>)-1,3,4a-Trimethyl-5,5-diphenyl-6-oxa-1,3-diazabicyclo[4.2.0]octane-2,4-dione
• Authors of publication: Lin, Zhi-Cai; Shi, Jing-Bo; Tang, Wen-Jian; Li, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o796
• a: 8.1341 ± 0.0007 Å
• b: 9.1004 ± 0.0013 Å
• c: 23.485 ± 0.002 Å
• α: 90°
• β: 97.334 ± 0.002°
• γ: 90°
• Cell volume: 1724.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes