Information card for entry 1100648

Structure parameters

• Formula: C12 H21 N O5
• Calculated formula: C12 H21 N O5
• SMILES: OC(=O)[C@@H]1O[C@H]([C@@H](NC(=O)OC(C)(C)C)C)CC1
• 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: 8.6269 ± 0.0007 Å
• b: 9.251 ± 0.002 Å
• c: 9.789 ± 0.001 Å
• α: 90°
• β: 106.459 ± 0.008°
• γ: 90°
• Cell volume: 749.22 ų
• Number of distinct elements: 4
• 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