Information card for entry 4134643

Structure parameters

• Formula: C54 H66 N10 O24
• Calculated formula: C54 H66 N10 O24
• Title of publication: Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects.
• Authors of publication: Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 14.0185 ± 0.0005 Å
• b: 7.0639 ± 0.0002 Å
• c: 28.6965 ± 0.0008 Å
• α: 90°
• β: 95.382 ± 0.003°
• γ: 90°
• Cell volume: 2829.15 ± 0.15 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.1317
• Residual factor for significantly intense reflections: 0.1287
• Weighted residual factors for significantly intense reflections: 0.2596
• Weighted residual factors for all reflections included in the refinement: 0.2612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No