Information card for entry 7035036

Structure parameters

• Formula: C20 H33 B11
• Calculated formula: C20 H33 B11
• SMILES: c1(c(cc(cc1C)C)C)B(c1c(cc(cc1C)C)C)[C]1234[CH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]273[BH]348[BH]491[BH]1%105[BH]%1162[BH]7341
• Title of publication: Syntheses and reductions of C-dimesitylboryl-1,2-dicarba-closo-dodecaboranes.
• Authors of publication: Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Rendina, Louis M.; Low, Paul J.; Weber, Lothar; Fox, Mark A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9766 - 9781
• a: 9.1171 ± 0.0008 Å
• b: 19.3834 ± 0.0013 Å
• c: 13.2464 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2340.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No