Information card for entry 4339894

Structure parameters

• Formula: C25 H63 N10 O3 P3
• Calculated formula: C25 H63 N10 O3 P3
• SMILES: [P+]1(N(P(=NP(=N1)(NC(C)(C)C)NC(C)(C)C)(NC(C)(C)C)NC(C)(C)C)C)(NC(C)(C)C)NC(C)(C)C.N(=O)(=O)[O-]
• Title of publication: Alkylation and acylation of cyclotriphosphazenes.
• Authors of publication: Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7097 - 7108
• a: 9.9751 ± 0.0017 Å
• b: 11.719 ± 0.002 Å
• c: 16.369 ± 0.003 Å
• α: 77.702 ± 0.004°
• β: 73.267 ± 0.004°
• γ: 74.62 ± 0.004°
• Cell volume: 1747.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No