Information card for entry 4020430

Structure parameters

• Formula: C27 H29 N O3
• Calculated formula: C27 H29 N O3
• SMILES: O=C1OCC[C@@H]1[C@H](O)[C@@H](N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• 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: 10.464 ± 0.004 Å
• b: 10.343 ± 0.003 Å
• c: 10.866 ± 0.006 Å
• α: 90°
• β: 93.45 ± 0.04°
• γ: 90°
• Cell volume: 1173.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• 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