Information card for entry 1543143

Structure parameters

• Chemical name: 4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane
• Formula: C19 H29 B O3
• Calculated formula: C19 H29 B O3
• SMILES: B1(/C(=C/Oc2cc(ccc2)C)CCCC)OC(C(O1)(C)C)(C)C
• Title of publication: 4,4,5,5-Tetramethyl-2-[(<i>Z</i>)-1-(3-methylphenoxy)hex-1-en-2-yl]-1,3,2-dioxaborolane
• Authors of publication: Li, Kai-Xiao; Wang, Xiao-Juan
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160611
• a: 10.0293 ± 0.0009 Å
• b: 18.123 ± 0.0017 Å
• c: 10.7973 ± 0.001 Å
• α: 90°
• β: 97.475 ± 0.006°
• γ: 90°
• Cell volume: 1945.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes