Information card for entry 7158270

Structure parameters

• Formula: C20 H30 N4 O2
• Calculated formula: C20 H30 N4 O2
• Title of publication: Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.
• Authors of publication: Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 35
• Pages of publication: 7641 - 7654
• a: 16.5743 ± 0.0011 Å
• b: 4.646 ± 0.0003 Å
• c: 12.7547 ± 0.0009 Å
• α: 90°
• β: 97.57 ± 0.003°
• γ: 90°
• Cell volume: 973.61 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No