Information card for entry 1100646

Structure parameters

• Formula: C14 H19 N O4 S
• Calculated formula: C14 H19 N O4 S
• SMILES: S(=O)(=O)(N1[C@H](O)[C@@H]2O[C@@H](CC2)[C@@H]1C)c1ccc(cc1)C
• Title of publication: Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone
• Authors of publication: Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus
• Journal of publication: European Journal of Organic Chemistry
• Year of publication: 1999
• Journal volume: 1999
• Journal issue: 11
• Pages of publication: 2977 - 2990
• a: 8.455 ± 0.001 Å
• b: 11.6555 ± 0.001 Å
• c: 14.3828 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1417.39 ų
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No