Information card for entry 2000545

Structure parameters

• Formula: C29 H31 N3 O5
• Calculated formula: C29 H31 N3 O5
• SMILES: CCOC(=O)[C@H]1Cc2cc(OC)c(cc2[C@]2(N1C(=NN2c1ccccc1)c1ccc(cc1)OC)C)OC.CCOC(=O)[C@@H]1Cc2cc(OC)c(cc2[C@@]2(N1C(=NN2c1ccccc1)c1ccc(cc1)OC)C)OC
• Title of publication: Structure of ethyl 8,9-dimethoxy-3-(4-methoxyphenyl)-10b-methyl-1-phenyl-4,5,6,10b-tetrahydro-1,2,4-triazolo[3,4-<i>a</i>]isoquinoline-5-carboxylate
• Authors of publication: Theobald, F.; Rodier, N.; Moustaid, K.; Laude, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1846 - 1848
• a: 23.867 ± 0.002 Å
• b: 9.492 ± 0.001 Å
• c: 11.615 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631.3 ± 0.4 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P n a 21
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No