Information card for entry 7117017

Structure parameters

• Formula: C22 H21 F5 S2
• Calculated formula: C22 H21 F5 S2
• 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: 23.7477 ± 0.0004 Å
• b: 10.2283 ± 0.0001 Å
• c: 19.1342 ± 0.0003 Å
• α: 90°
• β: 111.487 ± 0.001°
• γ: 90°
• Cell volume: 4324.66 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.0639
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No