Information card for entry 4134197

Structure parameters

• Formula: C37 H45 N O9
• Calculated formula: C37 H45 N O9
• SMILES: O1[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O[C@H]1CN([C@@H](C1)C(=O)OC)C(=O)OC(C)(C)C)COCc1ccccc1
• Title of publication: Stereospecific Furanosylations Catalyzed by Bis-thiourea Hydrogen-Bond Donors.
• Authors of publication: Mayfield, Andrew B.; Metternich, Jan B.; Trotta, Adam H.; Jacobsen, Eric N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 8
• Pages of publication: 4061 - 4069
• a: 11.04683 ± 0.00014 Å
• b: 9.43212 ± 0.00012 Å
• c: 16.266 ± 0.0002 Å
• α: 90°
• β: 96.9247 ± 0.0012°
• γ: 90°
• Cell volume: 1682.47 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0352
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No