Information card for entry 2103474

Structure parameters

• Formula: C24 H30 F6 N3 O7 P3
• Calculated formula: C24 H30 F6 N3 O7 P3
• SMILES: C(C(F)(F)F)OP12=NP(=NP(c3ccccc3)(c3ccccc3)=N1)(OCC(F)(F)F)OCCOCCOCCOCCO2
• Title of publication: Structural investigations of phosphorus‒nitrogen compounds. 5. Relationships between molecular parameters of 2,2-diphenyl-4,6-<i>cis</i>-oxytetra(ethyleneoxy)-4,6-<i>R</i>~2~-cyclotriphosphazatrienes (<i>R</i> = Cl, OCH~2~CF~3~, OPh, OMe, NHPh, NHBu^<i>t^</i>) and substituent basicity constants
• Authors of publication: Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: 1067 - 1073
• a: 15.3839 ± 0.0004 Å
• b: 8.0685 ± 0.0002 Å
• c: 24.1935 ± 0.0009 Å
• α: 90°
• β: 105.877 ± 0.001°
• γ: 90°
• Cell volume: 2888.46 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1175
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes