Information card for entry 7061729

Structure parameters

• Formula: C32 H30 N6 O9 S2
• Calculated formula: C32 H30 N6 O9 S2
• Title of publication: Visible-light-promoted sulfenylation of 6-aminouracils under catalyst-free conditions
• Authors of publication: Saikia, B. Shriya; Borpatra, Paran J.; Rahman, Iftakur; Deb, Mohit L.; Baruah, Pranjal K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 34
• Pages of publication: 16523 - 16529
• a: 15.2751 ± 0.0013 Å
• b: 15.2751 ± 0.0013 Å
• c: 13.9765 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3261.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No