Information card for entry 2231964

Structure parameters

• Chemical name: <i>rac</i>-3,9-Bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• Formula: C19 H18 Cl2 O4
• Calculated formula: C19 H18 Cl2 O4
• SMILES: Clc1cc(C2OCC3(CO2)COC(c2cc(Cl)ccc2)OC3)ccc1
• Title of publication: <i>rac</i>-3,9-Bis(3-chlorophenyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
• Authors of publication: Li, Zhengyi; Zhou, Beibei; Chen, Liang; Ge, Ling; Sun, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2672
• a: 13.0924 ± 0.0013 Å
• b: 5.8473 ± 0.0006 Å
• c: 23.061 ± 0.002 Å
• α: 90°
• β: 92.865 ± 0.002°
• γ: 90°
• Cell volume: 1763.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes