Information card for entry 2228375

Structure parameters

• Chemical name: (1<i>R</i>,3<i>S</i>)-Methyl 6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
• Formula: C20 H23 N O5
• Calculated formula: C20 H23 N O5
• SMILES: COc1ccc(cc1)[C@H]1N[C@@H](Cc2c1cc(OC)c(c2)OC)C(=O)OC
• Title of publication: (1<i>R</i>,3<i>S</i>)-Methyl 6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
• Authors of publication: Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3105
• a: 5.3719 ± 0.0007 Å
• b: 12.1726 ± 0.0014 Å
• c: 27.021 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1766.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes