Information card for entry 4112114

Structure parameters

• Formula: C19 H45 N10 P
• Calculated formula: C19 H45 N10 P
• SMILES: P(N=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)(N=C(N(C)C)N(C)C)=NC(C)(C)C
• Title of publication: Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase
• Authors of publication: Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 17656 - 17666
• a: 11.222 ± 0.002 Å
• b: 11.981 ± 0.002 Å
• c: 19.807 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2663.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No