Information card for entry 1100173

Structure parameters

• Formula: C15 H22 N2 O4
• Calculated formula: C15 H22 N2 O4
• SMILES: O1[C@H](CC[C@H]1[C@@H](NC(=O)c1ccccc1)C)C(=O)NC.O
• 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: 9.3531 ± 0.0011 Å
• b: 10.5002 ± 0.0013 Å
• c: 15.9 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1561.53 ų
• Number of distinct elements: 4
• 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