Information card for entry 2018019

Structure parameters

• Common name: N-BenzylTIQdiphenyltrimethylsilyl
• Chemical name: (1<i>R</i>,3<i>S</i>)-2-benzyl-3-[diphenyl(trimethylsiloxy)methyl]- 6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
• Formula: C40 H43 N O3 Si
• Calculated formula: C40 H43 N O3 Si
• SMILES: [Si](OC([C@H]1N([C@@H](c2cc(OC)c(OC)cc2C1)c1ccccc1)Cc1ccccc1)(c1ccccc1)c1ccccc1)(C)(C)C
• Title of publication: Optically active diaryl tetrahydroisoquinoline derivatives
• Authors of publication: Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o100 - o103
• a: 11.045 ± 0.01 Å
• b: 17.008 ± 0.015 Å
• c: 18.489 ± 0.015 Å
• α: 90°
• β: 105.287 ± 0.015°
• γ: 90°
• Cell volume: 3350 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes