Information card for entry 4020434

Structure parameters

• Formula: C34 H53 N O2 S2 Si
• Calculated formula: C34 H53 N O2 S2 Si
• SMILES: [Si](O[C@H]([C@@H](N(Cc1ccccc1)Cc1ccccc1)CC(C)C)[C@H]1[C@H](OCC1)C1SCCCS1)(C)(C)C(C)(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: 9.98 ± 0.002 Å
• b: 10.189 ± 0.005 Å
• c: 10.21 ± 0.003 Å
• α: 96.32 ± 0.03°
• β: 113.03 ± 0.02°
• γ: 105.45 ± 0.03°
• Cell volume: 893.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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