Information card for entry 2224881

Structure parameters

• Chemical name: 3,9-Bis(2-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• Formula: C19 H18 Cl2 O4
• Calculated formula: C19 H18 Cl2 O4
• SMILES: Clc1ccccc1[C@@H]1OC[C@]2(CO1)CO[C@H](OC2)c1ccccc1Cl.Clc1ccccc1[C@H]1OC[C@@]2(CO1)CO[C@@H](OC2)c1ccccc1Cl
• Title of publication: 3,9-Bis(2-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• Authors of publication: Wang, Xiao-Yong; Shi, Jiang-Hua; Zhang, Min; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o426
• a: 10.7116 ± 0.0005 Å
• b: 9.4693 ± 0.0005 Å
• c: 17.708 ± 0.0009 Å
• α: 90°
• β: 106.745 ± 0.001°
• γ: 90°
• Cell volume: 1719.98 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes