Information card for entry 7133489

Structure parameters

• Formula: C15 H20 B F4 N
• Calculated formula: C15 H20 B F4 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: 7.5602 ± 0.0003 Å
• b: 15.2074 ± 0.0005 Å
• c: 12.6685 ± 0.0005 Å
• α: 90°
• β: 95.164 ± 0.002°
• γ: 90°
• Cell volume: 1450.6 ± 0.09 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: 0.0998
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No