Information card for entry 7711722

Structure parameters

• Formula: C25 H49 N7 O6
• Calculated formula: C25 H49 N7 O6
• SMILES: O.O=c1nc(N)cc[nH]1.O=c1[nH]ccc(n1)N.[O-]C(=O)O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: CO2 capture from ambient air via crystallization with tetraalkylammonium hydroxides
• Authors of publication: Mishra, Manish Kumar; Smetana, Volodymyr; Hiti, Ethan A.; Wineinger, Hannah B.; Qu, Fengrui; Mudring, Anja-Verena; Rogers, Robin D.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 7.8643 ± 0.001 Å
• b: 9.6531 ± 0.0012 Å
• c: 20.203 ± 0.002 Å
• α: 92.593 ± 0.005°
• β: 90.061 ± 0.005°
• γ: 99.413 ± 0.005°
• Cell volume: 1511.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No