Information card for entry 4020300

Structure parameters

• Formula: C19 H20 N2 O3
• Calculated formula: C19 H20 N2 O3
• SMILES: O(c1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)C#N)C)C
• Authors of publication: Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5323 - 5326
• a: 7.7142 ± 0.0002 Å
• b: 12.489 ± 0.0003 Å
• c: 16.4407 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.94 ± 0.07 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• 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