Information card for entry 7020741

Structure parameters

• Formula: C57 H45 B3 O3
• Calculated formula: C57 H45 B3 O3
• SMILES: O1B(OB(OB1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bulky derivatives of boranes, boronic acids and boronate esters via reaction with diazomethanes.
• Authors of publication: Neu, Rebecca C.; Jiang, Chunfang; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 726 - 736
• a: 9.5553 ± 0.0005 Å
• b: 11.0517 ± 0.0006 Å
• c: 21.8569 ± 0.0013 Å
• α: 92.454 ± 0.004°
• β: 97.71 ± 0.004°
• γ: 109.598 ± 0.002°
• Cell volume: 2145.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No