Information card for entry 7153869

Structure parameters

• Formula: C10 H6 F N O2
• Calculated formula: C10 H6 F N O2
• Title of publication: Unusual regio- and stereo-selectivity in Diels-Alder reactions between bulky N-phenylmaleimides and anthracene derivatives.
• Authors of publication: Chen, Hao; Yao, Erdong; Xu, Chi; Meng, Xiao; Ma, Yuguo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 28
• Pages of publication: 5102 - 5107
• a: 10.892 ± 0.002 Å
• b: 7.9279 ± 0.0018 Å
• c: 19.835 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1712.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.068
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No