Information card for entry 1516817

Structure parameters

• Formula: C38 H20 Cl2 N3 O12 P3
• Calculated formula: C38 H20 Cl2 N3 O12 P3
• SMILES: P12(=NP3(=NP(=N1)(Cl)Cl)Oc1c4ccccc4oc(=O)c1Cc1c(=O)oc4c(c1O3)cccc4)Oc1c3ccccc3oc(=O)c1Cc1c(=O)oc3c(c1O2)cccc3
• 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: 14.3683 ± 0.0004 Å
• b: 16.4258 ± 0.0005 Å
• c: 15.8683 ± 0.0005 Å
• α: 90°
• β: 103.739 ± 0.002°
• γ: 90°
• Cell volume: 3637.93 ± 0.19 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No