Information card for entry 2006411

Structure parameters

• Formula: C16 H23 N O4 S Si
• Calculated formula: C16 H23 N O4 S Si
• SMILES: S(=O)(c1c(cccc1)N(=O)=O)O[C@H]1[C@@H]([Si](C)(C)C)[C@H]2CC[C@@H]1C2.S(=O)(c1c(cccc1)N(=O)=O)O[C@@H]1[C@H]([Si](C)(C)C)[C@@H]2CC[C@H]1C2
• Title of publication: <i>endo</i>-3-Trimethylsilyl-2-norbornyl 2-Nitrobenzenesulfinate
• Authors of publication: White, Jonathan M.; Green, Alison J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1084 - 1086
• a: 14.4679 ± 0.001 Å
• b: 11.5916 ± 0.001 Å
• c: 11.456 ± 0.003 Å
• α: 90 ± 0.01°
• β: 107.05 ± 0.01°
• γ: 90 ± 0.009°
• Cell volume: 1836.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections: 0.1463
• Weighted residual factors for significantly intense reflections: 0.1307
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No