Information card for entry 7133484

Structure parameters

• Formula: C13 H16 F3 N O3 S
• Calculated formula: C13 H16 F3 N O3 S
• Title of publication: Solid-state [2+2] photodimerization of eniminium salts: stereoselective syntheses of 1,3-diacetylcyclobutanes.
• Authors of publication: Yamada, Shinji; Honda, Yuka
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 72
• Pages of publication: 9821 - 9824
• a: 7.1898 ± 0.0002 Å
• b: 10.261 ± 0.0003 Å
• c: 10.7376 ± 0.0003 Å
• α: 82.873 ± 0.002°
• β: 81.112 ± 0.002°
• γ: 73.186 ± 0.002°
• Cell volume: 746.55 ± 0.04 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.058
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No