Information card for entry 4324120

Structure parameters

• Formula: C20 H22 N3 O4 P3
• Calculated formula: C20 H22 N3 O4 P3
• SMILES: P1(=NP2(OCC=CCO2)=NP2(OCC=CCO2)=N1)(c1ccccc1)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: 9.5643 ± 0.0008 Å
• b: 10.4134 ± 0.0009 Å
• c: 12.0149 ± 0.0011 Å
• α: 64.642 ± 0.001°
• β: 84.264 ± 0.001°
• γ: 78.195 ± 0.001°
• Cell volume: 1058.38 ± 0.16 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: 0.0524
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No