Information card for entry 4130040

Structure parameters

• Formula: C25 H47 N6 P
• Calculated formula: C25 H47 N6 P
• SMILES: P(N=C1N(C(=C(N1C(C)C)C)C)C(C)C)(N=C1N(C(=C(N1C(C)C)C)C)C(C)C)C(C)C
• Title of publication: Reversible Carbon Dioxide Binding by Simple Lewis Base Adducts with Electron-Rich Phosphines.
• Authors of publication: Buß, Florenz; Mehlmann, Paul; Mück-Lichtenfeld, Christian; Bergander, Klaus; Dielmann, Fabian
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 1840 - 1843
• a: 18.29 ± 0.0004 Å
• b: 11.5237 ± 0.0003 Å
• c: 13.3929 ± 0.0003 Å
• α: 90°
• β: 109.359 ± 0.001°
• γ: 90°
• Cell volume: 2663.2 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No