Information card for entry 4020760

Structure parameters

• Formula: C12 H16 O3
• Calculated formula: C12 H16 O3
• SMILES: OC[C@@H](C(=O)C[C@@H](O)c1ccccc1)C
• Title of publication: Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers
• Authors of publication: Scott E. Denmark; Shinji Fujimori; Son M. Pham
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10823 - 10840
• a: 10.1869 ± 0.0009 Å
• b: 5.016 ± 0.0005 Å
• c: 10.8921 ± 0.001 Å
• α: 90°
• β: 102.478 ± 0.002°
• γ: 90°
• Cell volume: 543.41 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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