Information card for entry 4020431

Structure parameters

• Formula: C21 H25 N O3
• Calculated formula: C21 H25 N O3
• SMILES: O1C(=O)[C@H](CC1)[C@@H](O)[C@@H](N(Cc1ccccc1)Cc1ccccc1)C
• Title of publication: Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids
• Authors of publication: Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6735 - 6745
• a: 7.781 ± 0.003 Å
• b: 24.48 ± 0.011 Å
• c: 10.034 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1911.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No