Information card for entry 7024012

Structure parameters

• Common name: cyclophosphazene
• Formula: C9 H16 F6 N3 O6 P3
• Calculated formula: C9 H16 F6 N3 O6 P3
• SMILES: P12(OC)OCC(C(C(COP(OC)(=NP(OC)(OC)=N1)N=2)(F)F)(F)F)(F)F
• Title of publication: Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.
• Authors of publication: Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16709 - 16722
• a: 8.1912 ± 0.0008 Å
• b: 12.8636 ± 0.0012 Å
• c: 9.3727 ± 0.0009 Å
• α: 90°
• β: 114.478 ± 0.004°
• γ: 90°
• Cell volume: 898.82 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No