Information card for entry 4324122

Structure parameters

• Formula: C16 H24 N4 O8 P4
• Calculated formula: C16 H24 N4 O8 P4
• SMILES: C1C=CCOP2(=NP3(=NP4(=NP5(=N2)OCC=CCO5)OCC=CCO4)OCC=CCO3)O1
• 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: 9.5245 ± 0.001 Å
• b: 9.5245 ± 0.001 Å
• c: 24.571 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2229 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No