Information card for entry 7251953

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: 18.5647 ± 0.0009 Å
• b: 7.4927 ± 0.0004 Å
• c: 12.369 ± 0.0006 Å
• α: 90°
• β: 104.798 ± 0.002°
• γ: 90°
• Cell volume: 1663.46 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No