Information card for entry 4126335

Structure parameters

• Formula: C15 H21 B10 N O
• Calculated formula: C15 H21 B10 N O
• SMILES: N(=C\[C]1234[C]567(c8ccccc8)[BH]891[BH]1%102[BH]2%113[BH]3%12%13[BH]%145([BH]4623)[BH]23%12[BH]81([BH]%10%11%132)[BH]79%143)/c1ccccc1O
• 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: 7.392 ± 0.0007 Å
• b: 10.1949 ± 0.001 Å
• c: 12.291 ± 0.0012 Å
• α: 77.528 ± 0.003°
• β: 85.635 ± 0.004°
• γ: 89.07 ± 0.003°
• Cell volume: 901.78 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No