Information card for entry 7251954

Structure parameters

• Formula: C22 H17 N O S
• Calculated formula: C22 H17 N O S
• Title of publication: Temperature-Controlled Divergent Reactions of Bicyclo[1.1.0] butanes with Thiocyanate-based Protic Ionic Liquids
• Authors of publication: Roy, Palash; Das, Rohan Chandra; Biju, Akkattu T.
• Journal of publication: Green Chemistry
• Year of publication: 2026
• a: 18.837 ± 0.005 Å
• b: 5.9783 ± 0.0015 Å
• c: 16.831 ± 0.004 Å
• α: 90°
• β: 111.008 ± 0.006°
• γ: 90°
• Cell volume: 1769.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0505
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No