Information card for entry 4324119

Structure parameters

• Formula: C30 H30 N3 O2 P3
• Calculated formula: C30 H30 N3 O2 P3
• SMILES: P12(OCCC=CCCO1)=NP(=NP(=N2)(c1ccccc1)c1ccccc1)(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: 16.66 ± 0.002 Å
• b: 9.5056 ± 0.0012 Å
• c: 18.502 ± 0.002 Å
• α: 90°
• β: 107.018 ± 0.002°
• γ: 90°
• Cell volume: 2801.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No