Information card for entry 7158731

Structure parameters

• Formula: C24 H34 O12 S
• Calculated formula: C24 H34 O12 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: 9.3346 ± 0.0004 Å
• b: 11.4965 ± 0.0005 Å
• c: 14.0008 ± 0.0005 Å
• α: 68.283 ± 0.004°
• β: 88.338 ± 0.003°
• γ: 66.351 ± 0.004°
• Cell volume: 1265.98 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No