Information card for entry 2005962

Structure parameters

• Chemical name: (1R*,3R*,4S*)-4-Tert-Butyldiphenylsilyloxy-6,7-dimethoxy-1- methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline.
• Formula: C34 H39 N O3 Si
• Calculated formula: C34 H39 N O3 Si
• SMILES: [Si](c1ccccc1)(C(C)(C)C)(O[C@H]1[C@H](c2ccccc2)N[C@H](c2c1cc(c(OC)c2)OC)C)c1ccccc1.[Si](c1ccccc1)(C(C)(C)C)(O[C@@H]1[C@@H](c2ccccc2)N[C@@H](c2c1cc(c(OC)c2)OC)C)c1ccccc1
• Title of publication: (1<i>R</i>*,3<i>R</i>*,4<i>S</i>*)-4-(<i>tert</i>-Butyldiphenylsilyloxy)-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
• Authors of publication: Pizarro, J. L.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 355 - 358
• a: 8.181 ± 0.003 Å
• b: 21.02 ± 0.004 Å
• c: 17.402 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2992.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.0829
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.126
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No