Information card for entry 4328454

Structure parameters

• Formula: C15 H36 B11 N
• Calculated formula: C15 H36 B11 N
• SMILES: [CH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[B]5%1121c1ccccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Microwave-Assisted Kumada-Type Cross-Coupling Reactions of Iodinated Carba-closo-dodecaborate Anions
• Authors of publication: Alexander Himmelspach; Guido J. Reiß; Maik Finze
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2679 - 2688
• a: 10.2163 ± 0.0003 Å
• b: 17.0365 ± 0.0006 Å
• c: 26.2239 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4564.3 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No