Information card for entry 7245382

Structure parameters

• Formula: C14 H12 O4
• Calculated formula: C14 H12 O4
• Title of publication: BF3·Et2O-Mediated annulation of α-keto acids with aliphatic ketones for the synthesis of γ-hydroxy-butenolides and γ-alkylidene-butenolides
• Authors of publication: Cheng, Zhenfeng; Gu, Qingyun; Xie, Yushan; Zhang, Yanan; Zeng, Xiaobao
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 24237 - 24241
• a: 9.9657 ± 0.0016 Å
• b: 14.3 ± 0.002 Å
• c: 9.0367 ± 0.0014 Å
• α: 90°
• β: 114.989 ± 0.003°
• γ: 90°
• Cell volume: 1167.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No