Information card for entry 2207783

Structure parameters

• Chemical name: 2-Phenyl-6-(p-tolylsulfanyl)-4,4a,6,7,8,8a-hexahydro-2H- pyrano[3,2-d][1,3]dioxine-7,8-diyl diacetate
• Formula: C24 H26 O7 S
• Calculated formula: C24 H26 O7 S
• SMILES: S([C@@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@H](OC(=O)C)[C@H]1OC(=O)C)c1ccc(C)cc1
• Title of publication: 2-Phenyl-6-(<i>p</i>-tolylsulfanyl)-4,4a,6,7,8,8a-hexahydro-2<i>H</i>-pyrano[3,2-<i>d</i>][1,3]dioxane-7,8-diyl diacetate
• Authors of publication: Zhou, Feng-Yan; Zhou, Feng-Yan; Zhong, Jian-Hua
• Journal of publication: Acta Crystallographica, Section E: Structure Reports Online
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o266 - o267
• a: 5.653 ± 0.0007 Å
• b: 8.0292 ± 0.0009 Å
• c: 25.49 ± 0.003 Å
• α: 90°
• β: 90.906 ± 0.005°
• γ: 90°
• Cell volume: 1156.8 ± 0.2 ų
• Cell temperature: 295 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes