Information card for entry 4127848

Structure parameters

• Common name: 2-ampd-CO2
• Formula: C7 H14 N2 O2
• Calculated formula: C7 H14 N2 O2
• SMILES: O=C([O-])NCC1[NH2+]CCCC1
• Title of publication: Water Enables Efficient CO₂ Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.
• Authors of publication: Siegelman, Rebecca L.; Milner, Phillip J.; Forse, Alexander C.; Lee, Jung-Hoon; Colwell, Kristen A.; Neaton, Jeffrey B.; Reimer, Jeffrey A.; Weston, Simon C.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 13171 - 13186
• a: 5.0969 ± 0.0003 Å
• b: 18.5652 ± 0.0011 Å
• c: 8.4393 ± 0.0005 Å
• α: 90°
• β: 102.214 ± 0.004°
• γ: 90°
• Cell volume: 780.49 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No