Information card for entry 7033833

Structure parameters

• Formula: C76 H86 B O7 P3
• Calculated formula: C76 H86 B O7 P3
• SMILES: B(c1c(cc(cc1C)P(=O)(c1ccccc1)c1ccccc1)C)(c1c(cc(cc1C)P(=O)(c1ccccc1)c1ccccc1)C)c1c(cc(cc1C)P(=O)(c1ccccc1)c1ccccc1)C.C1CCCO1.C1CCOC1.C1CCCO1.C1CCCO1
• Title of publication: Lewis acidity enhancement of triarylborane by appended phosphine oxide groups.
• Authors of publication: Kwak, Jaewoo; Van Nghia, Nguyen; Lee, Junseong; Kim, Hyoseok; Park, Myung Hwan; Lee, Min Hyung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4765 - 4772
• a: 8.6329 ± 0.0002 Å
• b: 32.1721 ± 0.0008 Å
• c: 12.9756 ± 0.0003 Å
• α: 90°
• β: 105.072 ± 0.002°
• γ: 90°
• Cell volume: 3479.85 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No