Information card for entry 7711723

Structure parameters

• Formula: C21 H44 N4 O5
• Calculated formula: C21 H44 N4 O5
• 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: 16.4219 ± 0.0018 Å
• b: 15.5131 ± 0.0014 Å
• c: 19.111 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4868.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No