Information card for entry 7158732

Structure parameters

• Formula: C24 H35 K O13 S
• Calculated formula: C24 H35 K O13 S
• Title of publication: Monosulfonated dibenzo-24-crown-8 and its properties
• Authors of publication: Woźny, Mateusz; Trzybiński, Damian; Dąbrowa, Kajetan; Narodowiec, Jakub; Wozniak, Krzysztof
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.564 ± 0.0005 Å
• b: 11.4132 ± 0.0005 Å
• c: 14.49 ± 0.0007 Å
• α: 89.466 ± 0.004°
• β: 70.873 ± 0.005°
• γ: 66.708 ± 0.005°
• Cell volume: 1359.32 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No