Information card for entry 4503938

Structure parameters

• Formula: C48 H24 F30 N15 P3
• Calculated formula: C48 H24 F30 N15 P3
• SMILES: CN(/N=C/c1c(c(c(c(c1F)F)F)F)F)P1(=NP(=NP(=N1)(N(C)/N=C/c1c(c(c(c(c1F)F)F)F)F)N(C)/N=C/c1c(F)c(F)c(F)c(F)c1F)(N(C)/N=C/c1c(c(c(c(c1F)F)F)F)F)N(C)/N=C/c1c(F)c(F)c(F)c(F)c1F)N(/N=C/c1c(F)c(F)c(F)c(F)c1F)C
• Title of publication: Click Synthesis of Fluorine-Rich Cyclotriphosphazene Hydrazones. Synthesis and Supramolecular Structures of N3P3(N(Me)NCHC6F5)6,spiro-N3P3(C12H8O2)(N(Me)NCHC6F5)4, anddispiro-N3P3(C12H8O2)2(N(Me)NCHC6F5)2
• Authors of publication: Chandrasekhar, Vadapalli; Thilagar, Pakkirisamy; Krishnan, Venkatasubbaiah; Bickley, James. F.; Steiner, Alexander
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 668
• a: 25.1148 ± 0.0014 Å
• b: 25.1148 ± 0.0014 Å
• c: 15.2765 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8344.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No