Information card for entry 4126639

Structure parameters

• Formula: C27 H26 Cl2 F N O9
• Calculated formula: C27 H26 Cl2 F N O9
• SMILES: [C@@H]1([C@@H]([C@H]([C@H]([C@@H](COC(=O)C)O1)OC(=O)C)OC(=O)C)F)Oc1c(cc2c(c1Cl)C(C1=CC(=O)C=CC1=N2)(C)C)Cl
• Title of publication: Remarkable Reactivity Differences between Glucosides with Identical Leaving Groups.
• Authors of publication: Duo, Tianmeng; Robinson, Kyle; Greig, Ian R.; Chen, Hong-Ming; Patrick, Brian O.; Withers, Stephen G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 12.267 ± 0.002 Å
• b: 8.42 ± 0.0014 Å
• c: 26.875 ± 0.004 Å
• α: 90°
• β: 101.588 ± 0.003°
• γ: 90°
• Cell volume: 2719.3 ± 0.8 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No