Information card for entry 7024016

Structure parameters

• Formula: C10 H16 F8 N3 O6 P3
• Calculated formula: C10 H16 F8 N3 O6 P3
• SMILES: P1(=N[P@@]2(=N[P@](=N1)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO2)OC)OC)(OC)OC
• Title of publication: Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.
• Authors of publication: Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16709 - 16722
• a: 14.8998 ± 0.0007 Å
• b: 6.4328 ± 0.0003 Å
• c: 20.6068 ± 0.001 Å
• α: 90°
• β: 107.967 ± 0.002°
• γ: 90°
• Cell volume: 1878.79 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No