Information card for entry 4020432

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: 10.9502 ± 0.0002 Å
• b: 9.038 ± 0.0002 Å
• c: 11.4961 ± 0.0002 Å
• α: 90°
• β: 91.385 ± 0.001°
• γ: 90°
• Cell volume: 1137.41 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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