Information card for entry 7158271

Structure parameters

• Formula: C21 H32 N4 O2
• Calculated formula: C21 H32 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: 8.297 ± 0.0003 Å
• b: 9.2575 ± 0.0003 Å
• c: 15.0135 ± 0.0005 Å
• α: 87.5026 ± 0.0018°
• β: 80.0574 ± 0.0019°
• γ: 64.7954 ± 0.0017°
• Cell volume: 1027.14 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1287
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No