Information card for entry 7106947

Structure parameters

• Formula: C12 H10 B2 O3
• Calculated formula: C12 H10 B2 O3
• SMILES: B1(O)OB(O)c2c(c3c1cccc3)cccc2
• 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: 10.13 ± 0.002 Å
• b: 7.2521 ± 0.0015 Å
• c: 15.992 ± 0.003 Å
• α: 90°
• β: 105.63 ± 0.03°
• γ: 90°
• Cell volume: 1131.4 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No