Information card for entry 2225271

Structure parameters

• Chemical name: 6-{[(Benzyloxy)carbonyl]oxy}-2-methylhexahydropyrano[3,2-<i>d</i>][1,3]dioxin-7,8-diyl bis(chloroacetate)
• Formula: C20 H22 Cl2 O10
• Calculated formula: C20 H22 Cl2 O10
• SMILES: ClCC(=O)O[C@H]1[C@@H](O[C@H]2[C@@H](O[C@@H](OC2)C)[C@@H]1OC(=O)CCl)OC(=O)OCc1ccccc1
• Title of publication: 6-{[(Benzyloxy)carbonyl]oxy}-2-methylhexahydropyrano[3,2-<i>d</i>][1,3]dioxin-7,8-diyl bis(chloroacetate)
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Swamy, M. T.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o572 - o573
• a: 8.178 ± 0.0001 Å
• b: 14.9165 ± 0.0003 Å
• c: 19.3555 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2361.12 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes