Information card for entry 4301564

Structure parameters

• Common name: cyclotriphosphazane
• Formula: C33 H48 N3 O3 P3
• Calculated formula: C33 H48 N3 O3 P3
• SMILES: P1(Oc2c(cc(cc2C)C)C)N(P(Oc2c(cc(cc2C)C)C)N(P(Oc2c(cc(cc2C)C)C)N1CC)CC)CC
• Title of publication: Conformational and Isomeric Preferences of Six-Membered Inorganic Heterocycles [EtNP(E)(OR)]3 (E = Lone Pair, O, S, or Se): A Synthetic, Spectroscopic, Structural, and Computational Study
• Authors of publication: Ramaswamy Murugavel; Ganesan Prabusankar; Ashish Sharma; Raghavan B. Sunoj; Ray J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2048 - 2059
• a: 8.3291 ± 0.0018 Å
• b: 12.8684 ± 0.0013 Å
• c: 17.5186 ± 0.0011 Å
• α: 74.354 ± 0.007°
• β: 82.157 ± 0.01°
• γ: 89.252 ± 0.01°
• Cell volume: 1790.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1454
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No