Information card for entry 4025427

Structure parameters

• Formula: C25 H33 B O2
• Calculated formula: C25 H31 B O2
• SMILES: O1C(C)(C(OB1\C(=C(/c1ccccc1)C(C)(C)C)Cc1ccccc1)(C)C)C
• Title of publication: Stereoselective Synthesis of Tetrasubstituted Alkenylboronates via 1,1-Organodiboronates
• Authors of publication: Kohei Endo; Munenao Hirokami; Takanori Shibata
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3469 - 3472
• a: 11.9998 ± 0.001 Å
• b: 11.1729 ± 0.0007 Å
• c: 16.9883 ± 0.0014 Å
• α: 90°
• β: 101.551 ± 0.003°
• γ: 90°
• Cell volume: 2231.5 ± 0.3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No