Information card for entry 4324123

Structure parameters

• Formula: C14 H17 N3 O5 P2 S
• Calculated formula: C14 H17 N3 O5 P2 S
• SMILES: S1(=O)(=NP2(OCC=CCO2)=NP2(OCC=CCO2)=N1)c1ccccc1
• Title of publication: Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes
• Authors of publication: Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 250 - 260
• a: 8.6293 ± 0.0016 Å
• b: 8.6591 ± 0.0016 Å
• c: 12.639 ± 0.002 Å
• α: 90.384 ± 0.003°
• β: 106.38 ± 0.003°
• γ: 103.641 ± 0.003°
• Cell volume: 877.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No