Information card for entry 2007701

Structure parameters

• Chemical name: cis-1,3-Diethoxy-1,3-diphosphorinane-1,3-dione
• Formula: C8 H18 O4 P2
• Calculated formula: C8 H18 O4 P2
• SMILES: P1(=O)(CP(=O)(CCC1)OCC)OCC
• 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: 7.313 ± 0.002 Å
• b: 9.028 ± 0.002 Å
• c: 18.61 ± 0.005 Å
• α: 90°
• β: 97.34 ± 0.02°
• γ: 90°
• Cell volume: 1218.6 ± 0.5 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: 0.058
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.121
• Weighted residual factors for significantly intense reflections: 0.103
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No