Information card for entry 4126332

Structure parameters

• Formula: C25 H28 B10 O5
• Calculated formula: C25 H28 B10 O5
• SMILES: [BH]1234[B]567([B]89%10([BH]%11%12%13[BH]%14%15%16[BH]%178%11[BH]859[BH]516[BH]2%14([BH]%15%1785)[C]4%13%16([C]37%10%12C=O)c1ccccc1)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC
• 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: 10.5635 ± 0.0007 Å
• b: 13.8678 ± 0.0009 Å
• c: 18.2585 ± 0.0012 Å
• α: 90°
• β: 94.633 ± 0.001°
• γ: 90°
• Cell volume: 2666 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No