Information card for entry 4020538

Structure parameters

• Common name: Compound 11
• Formula: C11 H15 N O4 S
• Calculated formula: C11 H14 N O4 S
• SMILES: [C@]1(O)(c2sccn2)[C@@H]2OC(C)(C)O[C@@H]2O[C@H]1C
• Title of publication: Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II
• Authors of publication: Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8556 - 8559
• a: 7.11 ± 0.004 Å
• b: 10.412 ± 0.008 Å
• c: 9.457 ± 0.006 Å
• α: 90°
• β: 110.29 ± 0.05°
• γ: 90°
• Cell volume: 656.6 ± 0.7 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No