Information card for entry 2005502

Structure parameters

• Common name: Monospiro(2,3-naphthalenedioxy)tetrakis(parafluorophenoxy)cyclotriphosphazene
• Formula: C34 H22 F4 N3 O6 P3
• Calculated formula: C34 H22 F4 N3 O6 P3
• SMILES: P12(Oc3cc4ccccc4cc3O1)=NP(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)=NP(Oc1ccc(F)cc1)(Oc1ccc(F)cc1)=N2
• Title of publication: Monospiroaryloxyphosphazenes: <i>p</i>-Fluorophenoxy Derivatives Containing the 1,2-Phenylenedioxy and 2,3-Naphthalenedioxy Groups
• Authors of publication: Vij, A.; Staples, R. J.; Kirchmeier, R. L.; Shreeve, J. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2515 - 2520
• a: 8.1325 ± 0.0001 Å
• b: 26.5942 ± 0.0003 Å
• c: 29.8727 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6460.79 ± 0.15 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections: 0.1125
• Weighted residual factors for significantly intense reflections: 0.0818
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No