Information card for entry 1553898

Structure parameters

• Formula: C20 H24 N2 O4
• Calculated formula: C20 H24 N2 O4
• SMILES: N1(c2c(cccc2)C(NC(=O)OC(C)(C)C)(C1=O)/C=C/C=C/C(=O)C)C
• Title of publication: Phosphine catalyzed δ-carbon addition and isomerization of alkynones to ketimines: the preparation of 1,3-diene substituted dihydroquinazolinones and 3-aminooxindoles
• Authors of publication: Sun, Yao-Liang; Wei, Yin; Shi, Min
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 210
• a: 18.416 ± 0.005 Å
• b: 11.31 ± 0.003 Å
• c: 9.759 ± 0.003 Å
• α: 90°
• β: 93.907 ± 0.007°
• γ: 90°
• Cell volume: 2027.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0672
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No