Information card for entry 7240512

Structure parameters

• Formula: C63 H83 N25 Na4 O37 S4
• Calculated formula: C63 H83 N25 Na4 O37 S4
• Title of publication: A cucurbit[6]uril-based supramolecular assembly as a highly sensitive and quickly responsive luminescent sensor for the detection of fluoroquinolones antibiotics in simulated wastewater
• Authors of publication: Liu, Mei; Shi, Lulu; Li, Hui
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.2749 ± 0.0009 Å
• b: 24.769 ± 0.002 Å
• c: 14.9058 ± 0.0012 Å
• α: 90°
• β: 92.691 ± 0.002°
• γ: 90°
• Cell volume: 4158.1 ± 0.6 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.1138
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No