Information card for entry 2224292

Structure parameters

• Common name: tetrahydroisoquinoline
• Chemical name: (1<i>R</i>,3<i>S</i>)-Methyl 2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4- tetrahydroisoquinoline-3-carboxylate
• Formula: C26 H27 N O4
• Calculated formula: C26 H27 N O4
• SMILES: O(c1cc2[C@H](N([C@@H](Cc2cc1OC)C(=O)OC)Cc1ccccc1)c1ccccc1)C
• Title of publication: (1<i>R</i>,3<i>S</i>)-Methyl 2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
• Authors of publication: Naicker, Tricia; McKay, Michael; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3278
• a: 6.0199 ± 0.0001 Å
• b: 9.2592 ± 0.0002 Å
• c: 11.0429 ± 0.0002 Å
• α: 73.365 ± 0.001°
• β: 74.694 ± 0.001°
• γ: 75.737 ± 0.001°
• Cell volume: 559.045 ± 0.019 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes