Information card for entry 1100243

Structure parameters

• Chemical name: (2SR,3SR)-N-t-Butoxycarbonyl-2-benzyl-3-pyrrolidinol
• Formula: C16 H23 N O3
• Calculated formula: C16 H23 N O3
• SMILES: N1([C@H]([C@@H](O)CC1)Cc1ccccc1)C(=O)OC(C)(C)C.N1([C@@H]([C@H](O)CC1)Cc1ccccc1)C(=O)OC(C)(C)C
• Title of publication: The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles
• Authors of publication: Bach, Thorsten; Brummerhop, Harm; Harms, Klaus
• Journal of publication: Chemistry - A European Journal
• Year of publication: 2000
• Journal volume: 6
• Journal issue: 20
• Pages of publication: 3838 - 3848
• a: 13.318 ± 0.0004 Å
• b: 6.836 ± 0.0002 Å
• c: 17.3181 ± 0.0011 Å
• α: 90°
• β: 96.045 ± 0.005°
• γ: 90°
• Cell volume: 1567.91 ų
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 3.97
• Weighted residual factors for significantly intense reflections: 3.97
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No