Information card for entry 1516818

Structure parameters

• Common name: cyclophosphazene
• Formula: C85 H86 N3 O25 P3
• Calculated formula: C85 H86 N3 O25 P3
• SMILES: P12(=NP3(=NP4(=N1)Oc1c5ccccc5oc(=O)c1Cc1c(=O)oc5c(c1O4)cccc5)Oc1c4ccccc4oc(=O)c1Cc1c(=O)oc4c(c1O3)cccc4)Oc1c3ccccc3oc(=O)c1Cc1c(=O)oc3c(c1O2)cccc3.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis and characterization of dicoumarol substituted cyclotriphosphazenes
• Authors of publication: Gonul Yenilmez Ciftci; Esra Tanriverdi Ecik; Mustafa Bulut; Fatma Yuksel; Adem Kilic; Mahmut Durmus
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 398
• Pages of publication: 106 - 112
• a: 14.5715 ± 0.0008 Å
• b: 17.2507 ± 0.0008 Å
• c: 17.2596 ± 0.0008 Å
• α: 82.89 ± 0.003°
• β: 75.604 ± 0.003°
• γ: 73.08 ± 0.003°
• Cell volume: 4014.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1337
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No