Information card for entry 2000791

Structure parameters

• Formula: C30 H33 N3 O5
• Calculated formula: C30 H33 N3 O5
• SMILES: C1(=NN([C@@]2(N([C@@H](c3cc(c(cc3[C@H]12)OC)OC)C)C)C(=O)OCC)c1ccccc1)c1ccc(cc1)OC.C1(=NN([C@]2(N([C@H](c3cc(c(cc3[C@@H]12)OC)OC)C)C)C(=O)OCC)c1ccccc1)c1ccc(cc1)OC
• Title of publication: Structure of ethyl 1-<i>p</i>-anisyl-7,8-dimethoxy-4,5-dimethyl-3-phenyl-3a,4,5,9b-tetrahydropyrazolo[3,4-<i>c</i>]isoquinoline-3a-carboxylate
• Authors of publication: Theobald, F.; Rodier, N.; Moustaid, K.; Nguyen Dinh An; Laude, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 7
• Pages of publication: 1329 - 1331
• a: 10.936 ± 0.002 Å
• b: 8.846 ± 0.001 Å
• c: 14.6 ± 0.003 Å
• α: 89.08 ± 0.02°
• β: 105.16 ± 0.02°
• γ: 100.12 ± 0.02°
• Cell volume: 1341.4 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No