Information card for entry 7244125

Structure parameters

• Formula: C60 H105 Cd2 Cl8 N34 O34
• Calculated formula: C60 H76 Cd2 Cl8 N34 O24
• Title of publication: Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril
• Authors of publication: Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 1035 - 1040
• a: 14.075 ± 0.005 Å
• b: 14.636 ± 0.004 Å
• c: 22.677 ± 0.007 Å
• α: 90°
• β: 90.564 ± 0.012°
• γ: 90°
• Cell volume: 4671 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No