Information card for entry 4102856

Structure parameters

• Formula: C24 H18 O2
• Calculated formula: C24 H18 O2
• Title of publication: Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms
• Authors of publication: Xiaohua Li; Samuel J. Danishefsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11004 - 11005
• a: 16.6571 ± 0.0015 Å
• b: 10.4157 ± 0.0009 Å
• c: 19.8332 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3441 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No