Information card for entry 2007704

Structure parameters

• Chemical name: trans-3,5-Diethoxy-3,5-dioxo-1-oxa-3,5-diphosphorinane
• Formula: C7 H16 O5 P2
• Calculated formula: C7 H16 O5 P2
• SMILES: P1(=O)(OCC)COCP(=O)(OCC)C1
• Title of publication: <i>cis</i>- and <i>trans</i>-3,5-Diethoxy-1-oxa-3,5-diphosphorinane-3,5-dione
• Authors of publication: Jones, Peter G.; Weinkauf, Andreas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1453 - 1456
• a: 9.058 ± 0.002 Å
• b: 15.312 ± 0.003 Å
• c: 8.27 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147 ± 0.4 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.076
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No