Information card for entry 8101182

Structure parameters

• Formula: C18 H33 N O11 S2
• Calculated formula: C18 H33 N O11 S2
• SMILES: S(=O)(=O)(O[C@@H]1[C@@H](O[C@@H]([C@H]1OS(=O)(=O)C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H]1OC(OC1)(C)C)C
• Title of publication: Crystal structure of (2S,3R,4R,5R,1'R,2'S)-3,4-dimethanesulfonyloxy- 2-[2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5- methyl-tetrahydrofuran, C~18~H~33~NO~11~S~2~
• Authors of publication: Frey, Wolfgang; Zimmermann, Peter Jan; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 1
• Pages of publication: 125 - 126
• a: 8.4415 ± 0.0014 Å
• b: 12.961 ± 0.002 Å
• c: 23.313 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2550.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1073
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No