Information card for entry 7117014

Structure parameters

• Formula: C30 H18 B F15 S
• Calculated formula: C30 H18 B F15 S
• SMILES: [S]12[B](C(=C1C(C)(C)C)c1c(F)c(F)c(F)c(F)c1F)(C(C(=C2c1c(F)c(F)c(F)c(F)c1F)C)(C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Thiophene synthesis via 1,1-carboboration
• Authors of publication: Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Stephan, Douglas W.; Erker, Gerhard
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 33
• Pages of publication: 7226 - 7229
• a: 8.964 ± 0.0001 Å
• b: 10.7186 ± 0.0001 Å
• c: 15.817 ± 0.0001 Å
• α: 78.9 ± 0.001°
• β: 87.821 ± 0.001°
• γ: 81.241 ± 0.001°
• Cell volume: 1473.84 ± 0.02 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: 0.0445
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No