Information card for entry 7133268

Structure parameters

• Formula: C20 H18 O4
• Calculated formula: C20 H18 O4
• Title of publication: Concise synthesis of chiral γ-butenolides <i>via</i> an allylation/lactonization cascade reaction.
• Authors of publication: Tan, Zheng; Yihuo, Aying; Wu, Zhao; Wang, Fei; Dong, Shunxi; Feng, Xiaoming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 61
• Pages of publication: 7926 - 7929
• a: 6.3415 ± 0.0001 Å
• b: 8.4205 ± 0.0002 Å
• c: 30.8465 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1647.16 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No