Information card for entry 7056206

Structure parameters

• Formula: C20 H26 Cl4 F2 N8 P4
• Calculated formula: C20 H26 Cl4 F2 N8 P4
• SMILES: c1(ccc(cc1)F)CN1CCN(P21=NP(Cl)(Cl)=NP1(=NP(=N2)(Cl)Cl)N(Cc2ccc(cc2)F)CCN1C)C
• Title of publication: Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes
• Authors of publication: Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 5818 - 5835
• a: 8.5886 ± 0.0002 Å
• b: 9.2505 ± 0.0003 Å
• c: 9.5924 ± 0.0003 Å
• α: 75.382 ± 0.003°
• β: 71.148 ± 0.003°
• γ: 87.868 ± 0.003°
• Cell volume: 697.06 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No