Information card for entry 7117011

Structure parameters

• Formula: C25 H21 B F10 S
• Calculated formula: C25 H21 B F10 S
• SMILES: s1c(c(c(c1C(C)(C)C)B(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C)C(C)(C)C
• 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: 13.6064 ± 0.0002 Å
• b: 16.1319 ± 0.0003 Å
• c: 11.023 ± 0.0002 Å
• α: 90°
• β: 91.753 ± 0.001°
• γ: 90°
• Cell volume: 2418.38 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No