Information card for entry 4022589

Structure parameters

• Chemical name: p-Cresyl 2-O-benzyl-3,5-di-O-benzylidene-1-thio-/a/-D-arabinofuranoside
• Formula: C26 H26 O4 S
• Calculated formula: C26 H26 O4 S
• SMILES: S([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H]1OCc1ccccc1)c1ccc(cc1)C
• Title of publication: On the Use of 3,5-O-Benzylidene and 3,5-O-(Di-tert-butylsilylene)-2-O-benzylarabinothiofuranosides and Their Sulfoxides as Glycosyl Donors for the Synthesis of β-Arabinofuranosides: Importance of the Activation Method
• Authors of publication: David Crich; Christian Marcus Pedersen; Albert A. Bowers; Donald J. Wink
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1553 - 1565
• a: 4.7318 ± 0.0005 Å
• b: 11.6928 ± 0.0013 Å
• c: 20.242 ± 0.002 Å
• α: 90°
• β: 90.192 ± 0.002°
• γ: 90°
• Cell volume: 1120 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0769
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No