Information card for entry 7106946

Structure parameters

• Formula: C24 H32 B2 O4
• Calculated formula: C24 H32 B2 O4
• SMILES: B1(c2c(cccc2)c2c(B3OC(C(O3)(C)C)(C)C)cccc2)OC(C(O1)(C)C)(C)C
• 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: 11.1036 ± 0.0005 Å
• b: 11.2005 ± 0.0004 Å
• c: 19.5494 ± 0.001 Å
• α: 90°
• β: 105.072 ± 0.004°
• γ: 90°
• Cell volume: 2347.64 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No