Information card for entry 7056208

Structure parameters

• Formula: C22 H30 Cl4 F2 N8 P4
• Calculated formula: C22 H30 Cl4 F2 N8 P4
• SMILES: P1(Cl)(Cl)=NP2(=NP(=NP3(=N1)N(Cc1ccc(cc1)F)CCCN3C)(Cl)Cl)N(Cc1ccc(cc1)F)CCCN2C
• 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: 8.8404 ± 0.0003 Å
• b: 19.0391 ± 0.0005 Å
• c: 9.1699 ± 0.0003 Å
• α: 90°
• β: 101.828 ± 0.002°
• γ: 90°
• Cell volume: 1510.64 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No