Information card for entry 1574756

Structure parameters

• Formula: C7 H6 I Na O4 S
• Calculated formula: C7 H6 I Na O4 S
• Title of publication: Decarboxylative sulfation by persulfates
• Authors of publication: Xia, Zhen; Deng, Ting; Song, Chunlan; Li, Jiakun
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 11568 - 11573
• a: 20.6719 ± 0.0004 Å
• b: 6.0409 ± 0.0001 Å
• c: 8.4029 ± 0.0002 Å
• α: 90°
• β: 97.775 ± 0.001°
• γ: 90°
• Cell volume: 1039.68 ± 0.04 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• 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: 0.0893
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No