Information card for entry 7013834

Structure parameters

• Formula: C16 H20 B10
• Calculated formula: C16 H20 B10
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%11%12[BH]%13%14%15[BH]35([BH]36%13[BH]5%11%15[C]6783[C]9%10%125C3c5c(C6c6ccccc36)cccc5)[BH]412%14
• Title of publication: Generation and trapping reaction of an efficient 1,2-dehydrocarborane precursor, phenyl[o-(trimethylsilyl)carboranyl]iodonium acetate.
• Authors of publication: Lee, Taegweon; Jeon, Joonsang; Song, Kyu Ho; Jung, Il; Baik, Chul; Park, Ki-Min; Lee, Shim Sung; Kang, Sang Ook; Ko, Jaejung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 933 - 937
• a: 8.7419 ± 0.0018 Å
• b: 15.71 ± 0.003 Å
• c: 13.3 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1826.6 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1614
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.2376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No