Information card for entry 1572343

Structure parameters

• Formula: C53.98 H79.93 N2 O9
• Calculated formula: C54.012 H81.048 N2 O9
• Title of publication: A Compact Chemically Driven [2]Catenane Rotary Motor Operated through Alternate Pumping and Discharging
• Authors of publication: Li, Anquan; Du, Zhenglin; Zhang, Shilong; Xie, Jialin; Li, Xia; Chen, Qing; Tang, Yisong; Chen, Jiawen; Zhu, Kelong
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 45.143 ± 0.003 Å
• b: 10.329 ± 0.0004 Å
• c: 25.339 ± 0.0007 Å
• α: 90°
• β: 98.908 ± 0.004°
• γ: 90°
• Cell volume: 11672.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No