Information card for entry 7133487

Structure parameters

• Formula: C14 H17 B F5 N
• Calculated formula: C14 H17 B F5 N
• 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: 8.51495 ± 0.00019 Å
• b: 16.4158 ± 0.0004 Å
• c: 10.0399 ± 0.0003 Å
• α: 90°
• β: 90.742 ± 0.0015°
• γ: 90°
• Cell volume: 1403.26 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0642
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No