Information card for entry 8100780

Structure parameters

• Formula: C20 H21 N O4
• Calculated formula: C20 H21 N O4
• SMILES: O(c1cc2c(cc1OC)CCN1C(=O)c3ccccc3[C@@H](O)[C@]21C)C.O(c1cc2c(cc1OC)CCN1C(=O)c3ccccc3[C@H](O)[C@@]21C)C
• Title of publication: Crystal structure of (13S*,13aR*)-2,3-dimethoxy-13-hydroxy-13a-methyl- 8-oxo-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizine, C~20~H~21~NO~4~
• Authors of publication: Liu, L.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 583 - 584
• a: 7.521 ± 0.002 Å
• b: 23.257 ± 0.002 Å
• c: 9.784 ± 0.002 Å
• α: 90°
• β: 95.57 ± 0.02°
• γ: 90°
• Cell volume: 1703.3 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No