Information card for entry 2238484

Structure parameters

• Chemical name: (<i>E</i>)-2-(1,1-Dicyclohexyl-3-phenylallyl)-5,5-dimethyl-1,3,2-dioxaborinane
• Formula: C26 H39 B O2
• Calculated formula: C26 H39 B O2
• SMILES: CC1(C)COB(OC1)C(C1CCCCC1)(C1CCCCC1)/C=C/c1ccccc1
• Title of publication: (<i>E</i>)-2-(1,1-Dicyclohexyl-3-phenylallyl)-5,5-dimethyl-1,3,2-dioxaborinane
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Elliott, Mark C.; Jones, Dyfyr Heulyn; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1403
• a: 9.4967 ± 0.0003 Å
• b: 11.2837 ± 0.0002 Å
• c: 12.0297 ± 0.0004 Å
• α: 109.897 ± 0.002°
• β: 96.388 ± 0.002°
• γ: 102.048 ± 0.002°
• Cell volume: 1161.9 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes