Information card for entry 7111943

Structure parameters

• Formula: C30 H19 B F10 S
• Calculated formula: C30 H19 B F10 S
• Title of publication: Ethene/alkyne exchange reaction at an intramolecular frustrated Lewis pair
• Authors of publication: Christina Eller; Kathrin Bussmann; Gerald Kehr; Birgit Wibbeling; Constantin G. Daniliuc; Gerhard Erker
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1980
• a: 14.0405 ± 0.0012 Å
• b: 14.1582 ± 0.0012 Å
• c: 16.0389 ± 0.0009 Å
• α: 70.793 ± 0.005°
• β: 80.041 ± 0.005°
• γ: 69.281 ± 0.003°
• Cell volume: 2810.4 ± 0.4 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: 0.1918
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No