Information card for entry 7063860

Structure parameters

• Formula: C20 H22 I N O3 S
• Calculated formula: C20 H22 I N O3 S
• Title of publication: A “turn-off” ICT-based optical probe for the selective detection of cyanide ions in real samples
• Authors of publication: Uota, Sisay; Gross, Daniella; Hwang, Bor-Jang; Butcher, Raymond; Hijji, Yousef; Wachira, James; Tadesse, Solomon; Edwards, Jesse; Edwards, Kyle; Abebe, Fasil
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 28
• Pages of publication: 12218 - 12230
• a: 7.7077 ± 0.0001 Å
• b: 10.5183 ± 0.0001 Å
• c: 12.6883 ± 0.0001 Å
• α: 97.407 ± 0.001°
• β: 91.858 ± 0.001°
• γ: 93.375 ± 0.001°
• Cell volume: 1017.48 ± 0.018 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No