Information card for entry 4038645

Structure parameters

• Formula: C26 H54 O5 Si3
• Calculated formula: C26 H54 O5 Si3
• Title of publication: Diastereoselective synthesis of axially chiral xylose-derived 1,3-disubstituted alkoxyallenes: scope, structure and mechanism.
• Authors of publication: Fortunato, Moustapha; Gimbert, Yves; Rousset, Elodie; Lameiras, Pedro; Martinez, Agathe; Gatard, Sylvain; Plantier-Royon, Richard; Jaroschik, Florian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 28.9222 ± 0.001 Å
• b: 7.8099 ± 0.0003 Å
• c: 31.9633 ± 0.001 Å
• α: 90°
• β: 113.747 ± 0.002°
• γ: 90°
• Cell volume: 6608.6 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.01 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No