Information card for entry 4126331

Structure parameters

• Formula: C21 H24 B10 O
• Calculated formula: C21 H24 B10 O
• SMILES: O=C[C]1234[C]567(c8ccccc8)[BH]891[B]1%102(c2ccccc2)[B]2%113(c3ccccc3)[BH]345[BH]456[BH]623[BH]21%11[BH]18%10[BH]794[BH]5621
• Title of publication: Selective Catalytic B-H Arylation of o-Carboanyl Aldehydes by a Transient Directing Strategy.
• Authors of publication: Zhang, Xiaolei; Zheng, Hongning; Li, Jie; Xu, Fei; Zhao, Jing; Yan, Hong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.612 ± 0.003 Å
• b: 19.721 ± 0.005 Å
• c: 14.299 ± 0.003 Å
• α: 90°
• β: 132.356 ± 0.013°
• γ: 90°
• Cell volume: 2211.4 ± 1.1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No