Information card for entry 7132252

Structure parameters

• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: c12ccccc1N(C(=O)C\2=C(\c1ccccc1)C(C)C)C
• Title of publication: Carbonyl Group Directed Synthesis of 3-Boryl-3-Substituted Vinyl Oxindoles and Tetrasubstituted β-Borylenones
• Authors of publication: Ghorai, Debraj; Das, Kanak Kanti; Panda, Santanu ​
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 11.7963 ± 0.0007 Å
• b: 8.283 ± 0.0004 Å
• c: 15.9743 ± 0.001 Å
• α: 90°
• β: 105.775 ± 0.002°
• γ: 90°
• Cell volume: 1502.04 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0816
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No