Information card for entry 7226948

Structure parameters

• Formula: C44 H50 O6
• Calculated formula: C44 H50 O6
• SMILES: O(Cc1ccccc1)[C@@H]1[C@H](O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)OC12CC3CC(C1)CC(C3)C2
• Title of publication: Iron(III) Chloride Modulated Selective 1,2-trans Glycosylation Based on Glycosyl Trichloroacetimidate Donors and its Application in Orthogonal Glycosylation
• Authors of publication: Mukherjee, Mana Mohan; Basu, Nabamita; Ghosh, Rina
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.4392 ± 0.0003 Å
• b: 12.6456 ± 0.0005 Å
• c: 31.178 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3721.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No