Information card for entry 1100634

Structure parameters

• Formula: C17 H24 N2 O
• Calculated formula: C17 H24 N2 O
• SMILES: [C@@H]12ON([C@H]3[C@@H](N([C@@H](CCC1)[C@@H]23)Cc1ccccc1)C)C
• Title of publication: Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones
• Authors of publication: Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner
• Journal of publication: Tetrahedron
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 3181 - 3196
• a: 9.75 ± 0.002 Å
• b: 10.525 ± 0.002 Å
• c: 15.035 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1542.87 ų
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No