Information card for entry 2232650

Structure parameters

• Chemical name: 2,2'-(9,9-Dioctyl-9<i>H</i>-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2- dioxaborolane)
• Formula: C41 H64 B2 O4
• Calculated formula: C41 H64 B2 O4
• SMILES: CC1(C)C(C)(C)OB(c2ccc3c(c2)C(c2c3ccc(c2)B2OC(C(C)(C)O2)(C)C)(CCCCCCCC)CCCCCCCC)O1
• Title of publication: 2,2'-(9,9-Dioctyl-9<i>H</i>-fluorene-2,7-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
• Authors of publication: Huang, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3449
• a: 12.8429 ± 0.0016 Å
• b: 13.4909 ± 0.0017 Å
• c: 14.1641 ± 0.0018 Å
• α: 110.369 ± 0.002°
• β: 90.183 ± 0.002°
• γ: 115.632 ± 0.002°
• Cell volume: 2039.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes