Information card for entry 2226426

Structure parameters

• Chemical name: 3,9-Bis(2,4-dichlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• Formula: C19 H16 Cl4 O4
• Calculated formula: C19 H16 Cl4 O4
• SMILES: Clc1ccc(c(c1)Cl)[C@@H]1OC[C@]2(CO1)CO[C@@H](OC2)c1ccc(cc1Cl)Cl.Clc1ccc(c(c1)Cl)[C@H]1OC[C@@]2(CO1)CO[C@H](OC2)c1ccc(cc1Cl)Cl
• Title of publication: 3,9-Bis(2,4-dichlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• Authors of publication: Li, Zhengyi; Tang, Qiuzheng; Wu, Kang; Yu, Shuling; Sun, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1864
• a: 14.365 ± 0.002 Å
• b: 5.7397 ± 0.0009 Å
• c: 11.7464 ± 0.0019 Å
• α: 90°
• β: 93.275 ± 0.003°
• γ: 90°
• Cell volume: 966.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes