Information card for entry 8101105

Structure parameters

• Formula: C19 H17 N3 O4
• Calculated formula: C19 H17 N3 O4
• SMILES: O(C)c1nc2c(c(OC)n1)[C@@H]1[C@H]3C(=O)N(C)C(=O)[C@H]3[C@H]2c2c1cccc2
• Title of publication: Crystal structure of (1SR,8RS,15SR,19RS)4,6-dimethoxy-17-methyl-3, 5-diazapentacyclo[6.6.5.02,7.09,14.015,19]-nonadec-2,4,6,9,11,13-hexaene- 16,18-dione, C~19~H~17~N~3~O~4~, the major adduct from the Diels-Alder reaction of maleic anhydride with 2,4-dimethoxy-1,3-diazaanthracene
• Authors of publication: Golic, M.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 573 - 574
• a: 10.622 ± 0.003 Å
• b: 8.351 ± 0.002 Å
• c: 19.89 ± 0.003 Å
• α: 90°
• β: 100.37 ± 0.02°
• γ: 90°
• Cell volume: 1735.5 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No