Information card for entry 1550532

Structure parameters

• Chemical name: (10bR,11S)-10b-methyl-11-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10b,11-dihydro-6H-isoindolo[2,1-a]indol-6-one
• Formula: C22 H24 B N O3
• Calculated formula: C22 H24 B N O3
• Title of publication: Pd-Catalyzed Dearomative Arylborylation of Indoles
• Authors of publication: Shen, Chong; Zeidan, Nicolas; Wu, Quan; Breuers, Christian; Liu, Ren-Rong; Jia, Yi-Xia; Lautens, Mark
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.9629 ± 0.0002 Å
• b: 10.4616 ± 0.0002 Å
• c: 18.5419 ± 0.0003 Å
• α: 90°
• β: 90.923 ± 0.001°
• γ: 90°
• Cell volume: 1932.33 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No