Information card for entry 1553897

Structure parameters

• Formula: C23 H20 Cl F3 N2 O3
• Calculated formula: C23 H20 Cl F3 N2 O3
• SMILES: Clc1cc2c(N(C(=O)NC2(C(F)(F)F)/C=C/C=C/C(=O)C)Cc2ccc(OC)cc2)cc1
• 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: 18.1727 ± 0.0015 Å
• b: 10.5743 ± 0.0009 Å
• c: 23.813 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4576 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No