Information card for entry 7242328

Structure parameters

• Formula: C16 H15 Br O4
• Calculated formula: C16 H15 Br O4
• Title of publication: A formal [3 + 3] cycloaddition of allenyl imide and activated ketones for the synthesis of tetrasubstituted 2-pyrones
• Authors of publication: Wang, Yu-Hao; Zhang, De-Hua; Cao, Ze-Hun; Li, Wang-Lai; Huang, Yi-Yong
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 8867 - 8870
• a: 7.9474 ± 0.0012 Å
• b: 17.258 ± 0.003 Å
• c: 21.615 ± 0.003 Å
• α: 86.131 ± 0.002°
• β: 89.164 ± 0.002°
• γ: 89.851 ± 0.002°
• Cell volume: 2957.6 ± 0.8 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.1649
• Residual factor for significantly intense reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.2111
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No