Information card for entry 4030106

Structure parameters

• Formula: C20 H32 O9
• Calculated formula: C20 H32 O9
• SMILES: O1[C@H]2[C@H](O[C@@H]3OC(O[C@H]23)(C)C)COC[C@H]2O[C@@H]3OC(O[C@@H]3[C@H]2OCCCC1)(C)C
• Title of publication: Ring-Closing Metathesis and Glycosylation Reactions: Synthesis and Biophysical Studies of Polyether-Linked Carbohydrate-Based Macrocyclic Nucleosides.
• Authors of publication: Das, Soumendra Nath; Rana, Richa; Chatterjee, Sabyasachi; Suresh Kumar, Gopinatha; Mandal, Sukhendu B.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 21
• Pages of publication: 9958
• a: 8.7618 ± 0.0011 Å
• b: 28.36 ± 0.004 Å
• c: 8.9322 ± 0.0011 Å
• α: 90°
• β: 100.258 ± 0.005°
• γ: 90°
• Cell volume: 2184 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No