Information card for entry 1553209

Structure parameters

• Chemical name: 3-((4,4-dimethyl-3-phenyl-4,5-dihydroisoxazol-5-yl)methyl)-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
• Formula: C28 H26 N2 O3
• Calculated formula: C28 H26 N2 O3
• SMILES: O1N=C(c2ccccc2)C(C1CC1=C(C2(N(C1=O)C)C=CC(=O)C=C2)c1ccccc1)(C)C
• Title of publication: Synthesis of isoxazoline-featured oxindoles by iminoxyl radical-promoted cascade oxyalkylation/alkylarylation of alkenes
• Authors of publication: Yang, Xiu-Long; Long, Yan; Chen, Fei; Han, Bing
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 184
• a: 15.8733 ± 0.0011 Å
• b: 11.8466 ± 0.0006 Å
• c: 12.3385 ± 0.0008 Å
• α: 90°
• β: 99.402 ± 0.006°
• γ: 90°
• Cell volume: 2289 ± 0.2 ų
• Cell temperature: 293.69 ± 0.1 K
• Ambient diffraction temperature: 293.69 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No