Information card for entry 2243123

Structure parameters

• Chemical name: Hexakis[3,5-bis(trifluoromethyl)phenoxy]cyclotriphosphazene
• Formula: C48 H18 F36 N3 O6 P3
• Calculated formula: C48 H18 F36 N3 O6 P3
• Title of publication: Crystal structures of three hexakis(fluoroaryloxy)cyclotriphosphazenes
• Authors of publication: Yennawar, Hemant P.; Hess, Andrew R.; Allcock, Harry R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1525 - 1530
• a: 8.9782 ± 0.0014 Å
• b: 13.947 ± 0.002 Å
• c: 23.205 ± 0.004 Å
• α: 97.276 ± 0.006°
• β: 93.155 ± 0.006°
• γ: 91.615 ± 0.006°
• Cell volume: 2876.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1531
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes