Information card for entry 4103931

Structure parameters

• Formula: C12 H26 B10 O2
• Calculated formula: C12 H26 B10 O2
• SMILES: O=C(OC)[C@@H]1C[C]2345[C]678(C(=C1CC)CC)[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132
• Title of publication: Nickel-Mediated Three-Component Cycloaddition Reaction of Carboryne, Alkenes, and Alkynes
• Authors of publication: Zaozao Qiu; Zuowei Xie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2084 - 2085
• a: 10.4119 ± 0.0012 Å
• b: 14.9521 ± 0.0017 Å
• c: 12.0963 ± 0.0013 Å
• α: 90°
• β: 102.436 ± 0.002°
• γ: 90°
• Cell volume: 1839 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No