Information card for entry 7125075

Structure parameters

• Formula: C26 H22 O4
• Calculated formula: C26 H22 O4
• Title of publication: Hypoiodite-catalysed oxidative cyclisation of Michael adducts of chalcones with 1,3-dicarbonyl compounds: a facile and versatile approach to substituted furans and cyclopropanes.
• Authors of publication: Gao, Wen-Chao; Hu, Fei; Tian, Jun; Li, Xing; Wei, Wen-Long; Chang, Hong-Hong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 89
• Pages of publication: 13097 - 13100
• a: 8.5852 ± 0.0006 Å
• b: 15.905 ± 0.0012 Å
• c: 15.6721 ± 0.0012 Å
• α: 90°
• β: 95.176 ± 0.002°
• γ: 90°
• Cell volume: 2131.3 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• 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: 0.0697
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No