Information card for entry 2219098

Structure parameters

• Chemical name: 9,9-Dioctyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 9<i>H</i>-fluorene
• Formula: C41 H64 B2 O4
• Calculated formula: C41 H64 B2 O4
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(ccc2c2c1cc(cc2)B1OC(C(O1)(C)C)(C)C)B1OC(C(O1)(C)C)(C)C
• Title of publication: 9,9-Dioctyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9<i>H</i>-fluorene
• Authors of publication: Gagnon, Eric; Laliberté, Dominic
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1603
• a: 12.6694 ± 0.0012 Å
• b: 13.3457 ± 0.0011 Å
• c: 14.0819 ± 0.0011 Å
• α: 68.944 ± 0.003°
• β: 89.834 ± 0.004°
• γ: 64.306 ± 0.004°
• Cell volume: 1968.9 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.042
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes