Information card for entry 4117146

Structure parameters

• Formula: C28 H28 Cl2 N3 O7 P3
• Calculated formula: C28 H28 Cl2 N3 O7 P3
• SMILES: P123Oc4c(c5c6ccccc6ccc5OP(=NP(OCCOCCOCCOCCO1)(=N3)Cl)(N=2)Cl)c1ccccc1cc4
• Title of publication: Regioselective Sodium Cation-Assisted Synthesis of the First Bis-Transannular Cyclotriphosphazatriene Derivatives of a Chiral Ligand Type
• Authors of publication: Krystyna Brandt; Iwona Porwolik; Anna Olejnik; Robert A. Shaw; David B. Davies; Michael B. Hursthouse; Georgia D. Sykara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 4496 - 4497
• a: 11.11 ± 0.004 Å
• b: 11.74 ± 0.002 Å
• c: 11.823 ± 0.002 Å
• α: 84.64 ± 0.02°
• β: 79.9 ± 0.02°
• γ: 77.981 ± 0.011°
• Cell volume: 1482.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.068
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections: 0.1567
• Weighted residual factors for significantly intense reflections: 0.1545
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.174
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No