Information card for entry 4503940

Structure parameters

• Formula: C48 H40 F10 N7 O8 P3
• Calculated formula: C48 H40 F10 N7 O8 P3
• SMILES: P12(Oc3ccccc3c3ccccc3O1)=NP1(Oc3ccccc3c3ccccc3O1)=NP(=N2)(N(/N=C/c1c(F)c(F)c(F)c(F)c1F)C)N(/N=C/c1c(F)c(F)c(F)c(F)c1F)C.O1CCOCC1.O1CCOCC1
• 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: 11.1074 ± 0.001 Å
• b: 12.3829 ± 0.0012 Å
• c: 18.4333 ± 0.0017 Å
• α: 95.309 ± 0.002°
• β: 102.645 ± 0.002°
• γ: 98.605 ± 0.002°
• Cell volume: 2425.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No