Information card for entry 7132551

Structure parameters

• Formula: C62 H62 N14 O18 S2
• Calculated formula: C62 H58 N14 O18 S2
• Title of publication: Tunable cyclic operation of dissipative molecular switches based on anion recognition.
• Authors of publication: Zhang, Xin; Mao, Lijun; He, Rongjing; Shi, Yanting; Li, Lingyi; Li, Shuo; Zhu, Chenghao; Zhang, Yanjing; Ma, Da
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 9
• Pages of publication: 1180 - 1183
• a: 8.6132 ± 0.0006 Å
• b: 14.1366 ± 0.0011 Å
• c: 15.1958 ± 0.0012 Å
• α: 103.568 ± 0.005°
• β: 105.921 ± 0.004°
• γ: 102.22 ± 0.004°
• Cell volume: 1652.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No