Information card for entry 7105231

Structure parameters

• Formula: C44 H65 B11 F K O6
• Calculated formula: C44 H65 B11 F K O6
• SMILES: [B](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)(c1ccc(cc1)[C]1234[C]567(c8ccccc8)[BH]892[BH]2%101[BH]1%114[BH]435[BH]357[BH]769[BH]68%10[BH]821[BH]%1143[BH]5768)F.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• 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: 14.5518 ± 0.0005 Å
• b: 11.4399 ± 0.0004 Å
• c: 15.0625 ± 0.0006 Å
• α: 90°
• β: 94.463 ± 0.002°
• γ: 90°
• Cell volume: 2499.87 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No