Information card for entry 7122758

Structure parameters

• Formula: C18 H38 N4 O7
• Calculated formula: C18 H38 N4 O7
• Title of publication: Pyrrolizidines for Direct Air Capture and CO2 Conversion
• Authors of publication: Hanusch, Jan M.; Kerschgens, Isabel; Huber, Florian; Neuburger, Markus; Gademann, Karl
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 7.8954 ± 0.0008 Å
• b: 22.637 ± 0.002 Å
• c: 11.695 ± 0.0011 Å
• α: 90°
• β: 90.952 ± 0.007°
• γ: 90°
• Cell volume: 2089.9 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1157
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No