Information card for entry 7105232

Structure parameters

• Formula: C32 H41 B11
• Calculated formula: C32 H41 B11
• SMILES: c1([C]2345[C]678(c9ccccc9)[BH]9%102[BH]2%116[BH]6%12%10[BH]%1039[BH]39%12[BH]%1226[BH]28%11[BH]647[BH]3%122[BH]5%1096)ccc(cc1)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: o-Carborane-assisted Lewis acidity enhancement of triarylboranes.
• Authors of publication: Huh, Jung Oh; Kim, Hyungjun; Lee, Kang Mun; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 1138 - 1140
• a: 11.3388 ± 0.0007 Å
• b: 21.7577 ± 0.0012 Å
• c: 13.6469 ± 0.0008 Å
• α: 90°
• β: 101.822 ± 0.004°
• γ: 90°
• Cell volume: 3295.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No