Information card for entry 1501861

Structure parameters

• Formula: C24 H6 B F15 O
• Calculated formula: C24 H6 B F15 O
• SMILES: [B]1(C(=CC[O]1CC#C)c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: 1,1-carboboration of 1-alkynes: a conceptual alternative to the hydroboration reaction.
• Authors of publication: Chen, Chao; Voss, Tanja; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 62 - 65
• a: 10.2004 ± 0.0002 Å
• b: 10.4858 ± 0.0002 Å
• c: 10.936 ± 0.0001 Å
• α: 79.725 ± 0.001°
• β: 79.268 ± 0.001°
• γ: 81.578 ± 0.002°
• Cell volume: 1123.03 ± 0.03 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No