Information card for entry 7250421

Structure parameters

• Formula: C13 H16 N2 O5 S2
• Calculated formula: C13 H16 N2 O5 S2
• Title of publication: Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds
• Authors of publication: Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6825 - 6830
• a: 11.2743 ± 0.0001 Å
• b: 24.3447 ± 0.0003 Å
• c: 11.0893 ± 0.0002 Å
• α: 90°
• β: 96.945 ± 0.001°
• γ: 90°
• Cell volume: 3021.34 ± 0.07 ų
• Cell temperature: 295.81 ± 0.1 K
• Ambient diffraction temperature: 295.81 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0807
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No