Information card for entry 2234853

Structure parameters

• Chemical name: [(3a<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-Tetramethyltetrahydro- 3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-3a-yl]methyl (<i>R</i>)-<i>N</i>-(1-phenylethyl)sulfamate
• Formula: C20 H29 N O8 S
• Calculated formula: C20 H29 N O8 S
• SMILES: S(=O)(=O)(OC[C@]12OC[C@H]3OC(O[C@H]3[C@@H]2OC(O1)(C)C)(C)C)N[C@@H](c1ccccc1)C
• Title of publication: [(3a<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-Tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-3a-yl]methyl (<i>R</i>)-<i>N</i>-(1-phenylethyl)sulfamate
• Authors of publication: Xie, Meng; Shen, Si-Si; Chen, Bao-Feng; Sha, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1581
• a: 9.5733 ± 0.0009 Å
• b: 15.0134 ± 0.0014 Å
• c: 15.9462 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2291.9 ± 0.4 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: 0.052
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes