Information card for entry 7117141

Structure parameters

• Common name: cel530
• Formula: C32 H24 B F15 Si2
• Calculated formula: C32 H24 B F15 Si2
• SMILES: [Si]([C@@H]1C(=C2C([Si](C)(C)C)=C(B(C[C@@H]2C1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C)(C)C.[Si]([C@H]1C(=C2C([Si](C)(C)C)=C(B(C[C@H]2C1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C)(C)C
• Title of publication: Unusual product formation in a 1,1-carboboration reaction
• Authors of publication: Christina Eller; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8436
• a: 13.8787 ± 0.0003 Å
• b: 14.2041 ± 0.0003 Å
• c: 19.8693 ± 0.0003 Å
• α: 101.859 ± 0.001°
• β: 98.658 ± 0.001°
• γ: 117.694 ± 0.001°
• Cell volume: 3254.49 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No