Information card for entry 4020858

Structure parameters

• Formula: C16 H21 Br Cl N O2
• Calculated formula: C16 H21 Br Cl N O2
• SMILES: C1CC[NH+]2[C@@H](CCC[C@H]12)COC(=O)c1ccc(cc1)Br.[Cl-].C1CC[NH+]2[C@H](CCC[C@@H]12)COC(=O)c1ccc(cc1)Br.[Cl-]
• Title of publication: Epoxide-Initiated Cationic Cyclization of Azides: A Novel Method for the Stereoselective Construction of 5-Hydroxymethyl Azabicyclic Compounds and Application in the Stereo- and Enantioselective Total Synthesis of (+)- and (-)-Indolizidine 167B and 209D
• Authors of publication: P. Ganapati Reddy; Sundarababu Baskaran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3093 - 3101
• a: 11.517 ± 0.007 Å
• b: 7.363 ± 0.01 Å
• c: 18.932 ± 0.011 Å
• α: 90°
• β: 97.29 ± 0.06°
• γ: 90°
• Cell volume: 1592 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No