Information card for entry 7235563

Structure parameters

• Formula: C40 H72 N24 O26
• Calculated formula: C40 H44 N24 O12
• 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: 14.5472 ± 0.0016 Å
• b: 14.6987 ± 0.0017 Å
• c: 31.549 ± 0.004 Å
• α: 90°
• β: 97.066 ± 0.004°
• γ: 90°
• Cell volume: 6694.7 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.1139
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No