Information card for entry 1503789

Structure parameters

• Formula: C45 H58 O17 S4
• Calculated formula: C45 H58 O17 S4
• Title of publication: One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.
• Authors of publication: Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 923 - 926
• a: 17.984 ± 0.004 Å
• b: 19.53 ± 0.004 Å
• c: 28.447 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9991 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No