Information card for entry 7235561

Structure parameters

• Formula: C40 H72 Cl8 Cu2 N24 O24
• Calculated formula: C40 H44 Cl8 Cu2 N24 O24
• Title of publication: Anion concentration control in the self-assembly of symmetrical α,α′,δ,δ′-tetramethyl-cucurbit[6]uril-based tubular architectures
• Authors of publication: Lin, Rui-Lian; Sun, Wen-Qi; Yao, Wen-Rui; Zhu, Jing; Liu, Jing-Xin
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 35
• Pages of publication: 18323
• a: 12.992 ± 0.006 Å
• b: 22.249 ± 0.01 Å
• c: 12.953 ± 0.006 Å
• α: 90°
• β: 116.056 ± 0.004°
• γ: 90°
• Cell volume: 3364 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No