Information card for entry 1569752

Structure parameters

• Formula: C26 H22
• Calculated formula: C26 H22
• 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: 17.5616 ± 0.0013 Å
• b: 5.8909 ± 0.0005 Å
• c: 17.906 ± 0.0016 Å
• α: 90°
• β: 106.549 ± 0.004°
• γ: 90°
• Cell volume: 1775.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• 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: 0.0179
• Residual factor for significantly intense reflections: 0.013
• Weighted residual factors for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections included in the refinement: 0.0253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0321
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No