Information card for entry 4506489

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(=NP(=NP(=N1)(Oc1ccc(F)cc1)Oc1ccc(F)cc1)(Oc1ccc(F)cc1)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: 25.993 ± 0.002 Å
• b: 15.7837 ± 0.0015 Å
• c: 16.8365 ± 0.0016 Å
• α: 90°
• β: 90.213 ± 0.001°
• γ: 90°
• Cell volume: 6907.4 ± 1.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.825
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No