Information card for entry 7129272

Structure parameters

• Formula: C132 H129.36 N24 O21
• Calculated formula: C132 H129.362 N24 O21
• Title of publication: Photoresponsive Macrocycles for Selective Binding and Release of Sulfate
• Authors of publication: Xiong, Shenglun; He, Qing
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 11.0498 ± 0.0017 Å
• b: 19.163 ± 0.003 Å
• c: 29.251 ± 0.004 Å
• α: 99.65 ± 0.01°
• β: 90.341 ± 0.008°
• γ: 90.27 ± 0.007°
• Cell volume: 6106 ± 1.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1091
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No