Information card for entry 1519491

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@H]2CCC[C@@]1(C(=C)C2)[Si](C)(C)C.Cc1ccc(cc1)S(=O)(=O)NN1[C@@H]2CCC[C@]1(C(=C)C2)[Si](C)(C)C
• Title of publication: 7-(Methylidene)-8-((p-toluenesulfonato)amino)-1-(trimethylsily)-8- azabicyclo(3.2.1)octane
• Authors of publication: Kilburn, J. D.; Hursthouse, Michael B.; Coles, Simon J.; Berry, M. B.; Patient, L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 86
• a: 8.9559 ± 0.0004 Å
• b: 9.0489 ± 0.0004 Å
• c: 24.0779 ± 0.0013 Å
• α: 85.016 ± 0.002°
• β: 88.263 ± 0.001°
• γ: 87.538 ± 0.002°
• Cell volume: 1941.43 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No