Information card for entry 4506484

Structure parameters

• Common name: Hexakis(4-fluorophenoxy)cyclotriphosphazene
• Formula: C36 H24 F6 N3 O6 P3
• Calculated formula: C36 H24 F6 N3 O6 P3
• SMILES: P1(Oc2ccc(F)cc2)(=NP(Oc2ccc(F)cc2)(=NP(Oc2ccc(F)cc2)(=N1)Oc1ccc(F)cc1)Oc1ccc(F)cc1)Oc1ccc(F)cc1
• Title of publication: A Series of Polymorphs of Hexakis(4-fluorophenoxy)cyclotriphosphazene
• Authors of publication: Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4031
• a: 20.87 ± 0.002 Å
• b: 8.0774 ± 0.0009 Å
• c: 21.794 ± 0.002 Å
• α: 90°
• β: 104.595 ± 0.002°
• γ: 90°
• Cell volume: 3555.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1083
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No