Information card for entry 7105233

Structure parameters

• Formula: C27 H39 B11
• Calculated formula: C27 H39 B11
• SMILES: B(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1ccc(cc1)[C]1234[BH]567[BH]891[BH]1%107[BH]7%116[BH]635[BH]352[BH]2%12%13[BH]81([BH]%10%11%12[BH]7632)[C]495%13C
• 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: 7.956 ± 0.0004 Å
• b: 27.7402 ± 0.0015 Å
• c: 13.6954 ± 0.0008 Å
• α: 90°
• β: 93.533 ± 0.003°
• γ: 90°
• Cell volume: 3016.8 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No