Information card for entry 8100689

Structure parameters

• Formula: C23 H19 N3 O2
• Calculated formula: C23 H19 N3 O2
• SMILES: O=C1N2N(C(=O)N1c1ccccc1)[C@@H]1C=CC=CC=C([C@H]2c2ccccc2)C1
• Title of publication: Crystal structure of 2RS,5-diphenyl-8RS-3,5,7-triazatricyclo[6.5.1.0 ^3,7^]tetradeca-9,11,13-triene-4,6-dione, C~23~H~19~N~3~O~2~
• Authors of publication: Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 3
• Pages of publication: 351 - 352
• a: 10.247 ± 0.002 Å
• b: 16.465 ± 0.002 Å
• c: 10.572 ± 0.004 Å
• α: 90°
• β: 92.22 ± 0.02°
• γ: 90°
• Cell volume: 1782.4 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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