Information card for entry 4080058

Structure parameters

• Formula: C38 H21 B F15 N S
• Calculated formula: C38 H21 B F15 N S
• Title of publication: Facile 1,1-Carboboration Reactions of Acetylenic Thioethers
• Authors of publication: Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 384
• a: 11.0229 ± 0.0009 Å
• b: 11.0833 ± 0.0004 Å
• c: 15.6069 ± 0.0005 Å
• α: 103.586 ± 0.002°
• β: 94.281 ± 0.005°
• γ: 109.041 ± 0.003°
• Cell volume: 1728.03 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0447
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No