Information card for entry 2009996

Structure parameters

• Formula: C22 H22 Cl2 O6
• Calculated formula: C22 H22 Cl2 O6
• SMILES: Clc1ccc(C(=O)O[C@H]([C@]2(OC[C@H](O2)COC(=O)c2ccc(Cl)cc2)CC)C)cc1
• Title of publication: 2(<i>RS</i>)-<i>r</i>-2-[(<i>RS</i>)-1-(4-Chlorobenzoyloxy)ethyl]-2-ethyl-1,3-dioxolan-<i>c</i>-4-ylmethyl-4-chlorobenzoate
• Authors of publication: Berens, U.; Raabe, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1271 - 1273
• a: 12.171 ± 0.002 Å
• b: 11.36 ± 0.002 Å
• c: 16.118 ± 0.004 Å
• α: 90°
• β: 91.343 ± 0.007°
• γ: 90°
• Cell volume: 2227.9 ± 0.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 2.627
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No