Information card for entry 7129271

Structure parameters

• Formula: C66 H60 N12 O8
• Calculated formula: C66 H60 N12 O8
• 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: 9.397 ± 0.0002 Å
• b: 15.8981 ± 0.0004 Å
• c: 50.4387 ± 0.0015 Å
• α: 90°
• β: 92.499 ± 0.002°
• γ: 90°
• Cell volume: 7528.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0881
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.2194
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No