Information card for entry 1100518

Structure parameters

• Formula: C26 H28 N2 O2
• Calculated formula: C26 H28 N2 O2
• SMILES: [C@H]12N(OC[C@H]1CN([C@@H]2[C@@H](O)c1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework
• Authors of publication: Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus
• Journal of publication: Tetrahedron
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 1249 - 1270
• a: 19.522 ± 0.002 Å
• b: 5.321 ± 0.001 Å
• c: 21.728 ± 0.001 Å
• α: 90°
• β: 102.53 ± 0.01°
• γ: 90°
• Cell volume: 2203.27 ų
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No