Information card for entry 7024015

Structure parameters

• Formula: C9 H13 Cl F8 N3 O5 P3
• Calculated formula: C9 H13 Cl F8 N3 O5 P3
• SMILES: P1(=N[P@@]2(=N[P@](=N1)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO2)Cl)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: 9.2665 ± 0.0016 Å
• b: 10.899 ± 0.002 Å
• c: 10.973 ± 0.002 Å
• α: 103.989 ± 0.009°
• β: 108.557 ± 0.009°
• γ: 107.445 ± 0.009°
• Cell volume: 930 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No