Information card for entry 4129884

Structure parameters

• Formula: C26 H43 B3 O6
• Calculated formula: C26 H43 B3 O6
• SMILES: O1C(C(OB1C(Cc1ccccc1)(B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C)(C)C)(C)C
• Title of publication: Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.
• Authors of publication: Zhang, Lei; Huang, Zheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 50
• Pages of publication: 15600 - 15603
• a: 9.7658 ± 0.0011 Å
• b: 12.3604 ± 0.0014 Å
• c: 22.998 ± 0.003 Å
• α: 90°
• β: 92.758 ± 0.002°
• γ: 90°
• Cell volume: 2772.9 ± 0.6 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No