Information card for entry 2007702

Structure parameters

• Chemical name: trans-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione
• Formula: C8 H18 O4 P2
• Calculated formula: C8 H18 O4 P2
• Title of publication: <i>cis</i>- and <i>trans</i>-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione
• Authors of publication: Jones, Peter G.; Fischer, Axel K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1451 - 1453
• a: 7.431 ± 0.002 Å
• b: 18.715 ± 0.005 Å
• c: 17.183 ± 0.006 Å
• α: 90°
• β: 99.06 ± 0.03°
• γ: 90°
• Cell volume: 2359.8 ± 1.2 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No