Information card for entry 1519358

Structure parameters

• Formula: C18 H28 N2 O2 S Si
• Calculated formula: C18 H28 N2 O2 S Si
• SMILES: Cc1ccc(cc1)S(=O)(=O)NN1[C@]2(C)CC[C@]1(C(=C)C2)[Si](C)(C)C.Cc1ccc(cc1)S(=O)(=O)NN1[C@@]2(C)CC[C@@]1(C(=C)C2)[Si](C)(C)C
• Title of publication: 1-Methyl-3-(methylidene)-7-((p-toluenesulfonato)amino)-4-(trimethylsilyl)-7- azabicyclo(2.2.1)heptane
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Berry, M. B.; Patient, L.; Kilburn, J. D.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 85
• a: 14.291 ± 0.003 Å
• b: 11.709 ± 0.002 Å
• c: 13.341 ± 0.003 Å
• α: 90°
• β: 115.86 ± 0.03°
• γ: 90°
• Cell volume: 2008.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No