Information card for entry 7152681

Structure parameters

• Formula: C22 H17 Br O5
• Calculated formula: C22 H17 Br O5
• Title of publication: DABCO and Bu3P catalyzed [4 + 2] and [3 + 2] cycloadditions of 3-acyl-2H-chromen-ones and ethyl 2,3-butadienoate.
• Authors of publication: Wang, Ying; Yu, Zhi-Hua; Zheng, Hu-Fei; Shi, De-Qing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 38
• Pages of publication: 7739 - 7746
• a: 11.756 Å
• b: 14.575 Å
• c: 11.52 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1973.88 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No