Information card for entry 2004608

Structure parameters

• Chemical name: 2,2'-Methylenebis[5,5-dimethyl-2,2'-dioxide]1,3,2- dioxaphosphorinane
• Formula: C11 H22 O6 P2
• Calculated formula: C11 H22 O6 P2
• SMILES: P1(=O)(OCC(CO1)(C)C)CP1(=O)OCC(CO1)(C)C
• Title of publication: 2,2'-Methylenebis(5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide)
• Authors of publication: Browning, C. S.; Burrow, T. E.; Farrar, D. H.; Lough, A. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 652 - 654
• a: 6.359 ± 0.001 Å
• b: 16.752 ± 0.002 Å
• c: 13.653 ± 0.001 Å
• α: 90°
• β: 94.23 ± 0.01°
• γ: 90°
• Cell volume: 1450.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.093
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No