Information card for entry 4020844

Structure parameters

• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: O[C@@H]1[C@H](N2C[C@@H]([C@H](C1)CC2)C=C)c1ccnc2ccccc12
• Title of publication: The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry
• Authors of publication: M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2983 - 2991
• a: 6.827 ± 0.002 Å
• b: 13.885 ± 0.003 Å
• c: 8.545 ± 0.003 Å
• α: 90°
• β: 90.7 ± 0.03°
• γ: 90°
• Cell volume: 809.9 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No