Information card for entry 1100503

Structure parameters

• Formula: C27 H25 N O2
• Calculated formula: C27 H25 N O2
• SMILES: O=C1C[C@@H]2[C@]3(N1[C@H](c1ccccc1)C(O3)(c1ccccc1)c1ccccc1)CCC2
• Title of publication: Utilization of industrial waste materials. Part 14. Synthesis of β-amino alcohols and thiols with a 2-azabicyclo[3.3.0]octane backbone and their application in enantioselective catalysis
• Authors of publication: Kossenjans, Michael; Soeberdt, Michael; Wallbaum, Sabine; Harms, Klaus; Martens, Jürgen; Aurich, Hans Günter
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2353 - 2365
• a: 8.766 ± 0.001 Å
• b: 9.673 ± 0.001 Å
• c: 12.647 ± 0.001 Å
• α: 81.71 ± 0.01°
• β: 82.07 ± 0.01°
• γ: 78.91 ± 0.01°
• Cell volume: 1034.63 ų
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No