Information card for entry 1542742

Structure parameters

• Formula: C33 H40 O7 S
• Calculated formula: C33 H40 O7 S
• SMILES: [C@@H]1([C@H]2[C@H]([C@@H]([C@@H](COCc3ccccc3)O1)OCc1ccccc1)O[C@@]([C@@](C)(O2)OC)(C)OC)Sc1ccc(cc1)C
• Title of publication: A versatile glycosylation strategy via Au(iii) catalyzed activation of thioglycoside donors
• Authors of publication: Vibhute, Amol M.; Dhaka, Arun; Athiyarath, Vignesh; Sureshan, Kana M.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4259
• a: 11.0077 ± 0.0006 Å
• b: 9.7685 ± 0.0006 Å
• c: 14.9709 ± 0.0007 Å
• α: 90°
• β: 103.216 ± 0.003°
• γ: 90°
• Cell volume: 1567.17 ± 0.15 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: 0.1106
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No