Information card for entry 2228142

Structure parameters

• Chemical name: 3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-dione
• Formula: C5 H8 Cl2 O6 P2
• Calculated formula: C5 H8 Cl2 O6 P2
• SMILES: P1(=O)(Cl)OCC2(CO1)COP(=O)(Cl)OC2
• Title of publication: 3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-dione
• Authors of publication: Zhan, Zhao-Shun; Wang, Hong; Ding, Li-Ping; Dong, Chun-Mei; Sun, Cai-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3026
• a: 6.063 ± 0.0005 Å
• b: 12.7384 ± 0.001 Å
• c: 13.4338 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1037.53 ± 0.14 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes