Information card for entry 7017326

Structure parameters

• Formula: C16 H23 B10 Br
• Calculated formula: C16 H23 B10 Br
• SMILES: Brc1c(cc(cc1C)[C]1234[C]567(c8ccccc8)[BH]89%10[BH]%11%12%13[BH]%14%159[BH]91([BH]1%162[BH]%12%159[BH]2%13%16[BH]6%10%11[BH]4712)[BH]358%14)C
• Title of publication: A highly Lewis acidic triarylborane bearing peripheral o-carborane cages.
• Authors of publication: Lee, Kang Mun; Huh, Jung Oh; Kim, Taewon; Do, Youngkyu; Lee, Min Hyung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11758 - 11764
• a: 12.9548 ± 0.0007 Å
• b: 11.2634 ± 0.0006 Å
• c: 14.4557 ± 0.0007 Å
• α: 90°
• β: 100.072 ± 0.003°
• γ: 90°
• Cell volume: 2076.8 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No