Information card for entry 1507418

Structure parameters

• Formula: C12 H23 N2 O4 P
• Calculated formula: C12 H23 N2 O4 P
• SMILES: P(=O)([O-])OCC(CO)(C)C.[nH+]1ccc(N(C)C)cc1
• Title of publication: Hydrolysis of Cyclic Phosphites/Phosphoramidites and Its Inhibition-Reversible Cyclization of Acyclic Phosphonate Salts to Cyclic Phosphites
• Authors of publication: Satish Kumar, N.; Kumaraswamy, Sudha; Said, Musa A.; Kumara Swamy, K. C.
• Journal of publication: Organic Process Research & Development
• Year of publication: 2003
• Journal volume: 7
• Journal issue: 6
• Pages of publication: 925 - 928
• a: 8.646 ± 0.002 Å
• b: 8.761 ± 0.003 Å
• c: 11.811 ± 0.007 Å
• α: 109.19 ± 0.07°
• β: 105.72 ± 0.03°
• γ: 99.38 ± 0.04°
• Cell volume: 781.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No