Information card for entry 1569748

Structure parameters

• Formula: C18 H14 F4
• Calculated formula: C18 H14 F4
• Title of publication: Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.
• Authors of publication: Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 9885 - 9891
• a: 10.8425 ± 0.0008 Å
• b: 6.299 ± 0.0008 Å
• c: 20.575 ± 0.0019 Å
• α: 90°
• β: 96.03 ± 0.002°
• γ: 90°
• Cell volume: 1397.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0836
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No