Information card for entry 7106948

Structure parameters

• Formula: C20 H34 B2 Li2 O2
• Calculated formula: C20 H34 B2 Li2 O2
• SMILES: [BH3]c1c(cccc1)c1c([BH3])cccc1.[Li][O](CC)CC.[Li][O](CC)CC
• Title of publication: 9-H-9-Borafluorene dimethyl sulfide adduct: a product of a unique ring-contraction reaction and a useful hydroboration reagent
• Authors of publication: Animesh Das; Alexander Hubner; Mitra Weber; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11339
• a: 11.229 ± 0.003 Å
• b: 12.21 ± 0.002 Å
• c: 15.985 ± 0.004 Å
• α: 90°
• β: 92.907 ± 0.019°
• γ: 90°
• Cell volume: 2188.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2866
• Weighted residual factors for all reflections included in the refinement: 0.3036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No