Information card for entry 2103477

Structure parameters

• Formula: C32 H40 N5 O6 P3
• Calculated formula: C32 H40 N5 O6 P3
• SMILES: O.c1(ccccc1)P1(c2ccccc2)=NP2(=NP(=N1)(Nc1ccccc1)OCCOCCOCCOCCO2)Nc1ccccc1
• 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: 10.519 ± 0.002 Å
• b: 12.694 ± 0.003 Å
• c: 14.34 ± 0.003 Å
• α: 114.81 ± 0.03°
• β: 93.81 ± 0.03°
• γ: 103.59 ± 0.03°
• Cell volume: 1659.6 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.647
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes