Information card for entry 8101104

Structure parameters

• Formula: C24 H21 N3 O3
• Calculated formula: C24 H21 N3 O3
• SMILES: O=C1N2N(C(=O)N1c1ccccc1)[C@H]1C=CC=CC=C([C@H]2c2ccc(OC)cc2)C1
• Title of publication: Crystal structure of 2RS-p-methoxyphenyl-8SR-5-phenyl-3,5,7-triazatricyclo [6.5.1.0^3,7^]tetradeca-9,11,13-triene-4,6-dione, C~24~H~21~N~3~O~3~
• 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: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 571 - 572
• a: 15.675 ± 0.003 Å
• b: 19.863 ± 0.004 Å
• c: 6.1999 ± 0.0027 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1930.4 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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