Information card for entry 7125074

Structure parameters

• Formula: C26 H19 Cl O4
• Calculated formula: C26 H18.1 Cl 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: 8.8081 ± 0.0004 Å
• b: 9.9881 ± 0.0005 Å
• c: 12.6194 ± 0.0006 Å
• α: 79.9048 ± 0.0016°
• β: 82.4837 ± 0.0016°
• γ: 80.2931 ± 0.0016°
• Cell volume: 1071.49 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No