Information card for entry 7117013

Structure parameters

• Formula: C31 H20 B Cl2 F15 S
• Calculated formula: C31 H20 B Cl2 F15 S
• 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: 10.3691 ± 0.0004 Å
• b: 10.8688 ± 0.0005 Å
• c: 15.4492 ± 0.0007 Å
• α: 85.529 ± 0.002°
• β: 80.114 ± 0.002°
• γ: 69.229 ± 0.002°
• Cell volume: 1603.51 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No