Information card for entry 7132255

Structure parameters

• Formula: C27 H34 B N O3
• Calculated formula: C27 H34 B N O3
• SMILES: C1CCC[N+]1=C1C(=C(CCc2ccccc2)[B]2(OC(C)(C)C(C)(C)O2)O1)c1ccccc1
• 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: 8.867 ± 0.003 Å
• b: 11.445 ± 0.004 Å
• c: 12.457 ± 0.004 Å
• α: 102.292 ± 0.011°
• β: 95.249 ± 0.014°
• γ: 98.197 ± 0.011°
• Cell volume: 1212.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No