Information card for entry 4020429

Structure parameters

• Formula: C24 H31 N O3
• Calculated formula: C24 H31 N O3
• SMILES: O=C1OCC[C@H]1[C@@H](O)[C@@H](N(Cc1ccccc1)Cc1ccccc1)CC(C)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: 7.636 ± 0.002 Å
• b: 10.547 ± 0.004 Å
• c: 15.442 ± 0.007 Å
• α: 80.12 ± 0.04°
• β: 79.42 ± 0.03°
• γ: 68.96 ± 0.03°
• Cell volume: 1133.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No