Information card for entry 7251677

Structure parameters

• Formula: C7 H7 N3 O S
• Calculated formula: C7 H7 N3 O S
• Title of publication: <i>N</i>-Cyano sulfoximine-mediated thiazole ligation with <i>N</i>-terminal cysteine under mild aqueous conditions.
• Authors of publication: Kim, Eunsil; Hyun, Ji Young; Song, Ji Ho; Lim, Hwan Jung; Park, Seong Jun
• Journal of publication: RSC medicinal chemistry
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 1031 - 1036
• a: 9.0926 ± 0.0013 Å
• b: 7.0943 ± 0.0009 Å
• c: 12.7455 ± 0.0018 Å
• α: 90°
• β: 93.758 ± 0.005°
• γ: 90°
• Cell volume: 820.4 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No