Information card for entry 2225325

Structure parameters

• Common name: tetrahydroisoquinoline
• Chemical name: {(1<i>R</i>,3<i>S</i>)-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4- tetrahydroisoquinolin-3-yl}diphenylmethanol
• Formula: C37 H35 N O3
• Calculated formula: C37 H35 N O3
• SMILES: O(c1cc2[C@H](N([C@@H](Cc2cc1OC)C(O)(c1ccccc1)c1ccccc1)Cc1ccccc1)c1ccccc1)C
• Title of publication: {(1<i>R</i>,3<i>S</i>)-2-Benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl}diphenylmethanol
• 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: 3
• Pages of publication: o638
• a: 11.9706 ± 0.0005 Å
• b: 10.1934 ± 0.0004 Å
• c: 13.1515 ± 0.0005 Å
• α: 90°
• β: 116.546 ± 0.002°
• γ: 90°
• Cell volume: 1435.58 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes