Information card for entry 4028765

Structure parameters

• Chemical name: (4'R,5'R,3E)-4-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-2-methyl-but-3-en-2-ol
• Formula: C36 H38.5 B N0.5 O5
• Calculated formula: C36 H38.5 B N0.5 O5
• Title of publication: Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes
• Authors of publication: Roza Vahabi; Wolfgang Frey; Jörg Pietruszka
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 11549 - 11559
• a: 15.326 ± 0.003 Å
• b: 18.541 ± 0.004 Å
• c: 11.368 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3230.3 ± 1.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No