Information card for entry 2221609

Structure parameters

• Chemical name: Methyl 2-(2,2,4-trimethyl-6-tosylperhydro-1,3- dioxino[5,4-<i>c</i>]pyridin-5-yl)acetate
• Formula: C20 H29 N O6 S
• Calculated formula: C20 H29 N O6 S
• SMILES: COC(=O)C[C@@H]1[C@H]2[C@H](C)OC(O[C@H]2CCN1S(=O)(=O)c1ccc(cc1)C)(C)C
• Title of publication: Methyl 2-(2,2,4-trimethyl-6-tosylperhydro-1,3-dioxino[5,4-<i>c</i>]pyridin-5-yl)acetate
• Authors of publication: Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Kathiravan, S.; Raghunathan, R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1091
• a: 8.2379 ± 0.0016 Å
• b: 18.039 ± 0.004 Å
• c: 28.844 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4286.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes