Information card for entry 4120325

Structure parameters

• Formula: C10 H14 B10 F4
• Calculated formula: C10 H14 B10 F4
• SMILES: [C]12345[C]678(Cc9c(C1)cccc9)[BH]192[BH]2%103[BH]3%114[BH]456[B]56%11([B]%11%103([B]392([BH]271[BH]845[B]6%1132F)F)F)F
• Title of publication: Palladium-Catalyzed Selective Fluorination of o-Carboranes
• Authors of publication: Zaozao Qiu; Yangjian Quan; Zuowei Xie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12192 - 12195
• a: 21.924 ± 0.004 Å
• b: 7.5397 ± 0.0013 Å
• c: 9.2002 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1520.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No