Information card for entry 4038646

Structure parameters

• Formula: C27 H55.75 O6 Si3
• Calculated formula: C27 H55.75 O6.00025 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: 7.858 ± 0.0016 Å
• b: 31.257 ± 0.006 Å
• c: 28.576 ± 0.006 Å
• α: 90°
• β: 90 ± 0.01°
• γ: 90°
• Cell volume: 7019 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2425
• Weighted residual factors for all reflections included in the refinement: 0.2594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.710751 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No