Information card for entry 1519587

Structure parameters

• Formula: C11 H23 Cl2 N4 O6 P3
• Calculated formula: C11 H23 Cl2 N4 O6 P3
• SMILES: C1CCNP2(=N[P@@]3(=N[P@](=N2)(OCCOCCOCCOCCO3)Cl)Cl)O1
• Title of publication: 2,2-(3'-amino-1'-propanoxy)-4,6-oxy(tetraethyleneoxy)-4,6- dichlorocyclotriphosphazatriene
• Authors of publication: Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2004
• Pages of publication: 147
• a: 13.648 ± 0.003 Å
• b: 17.348 ± 0.003 Å
• c: 33.734 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7987 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No