Information card for entry 7246391

Structure parameters

• Formula: C40 H34 O7
• Calculated formula: C40 H34 O7
• SMILES: c1ccccc1COc1ccc(cc1)C1=C(/C(=C/c2cc(c(c(c2)OC)OCc2ccccc2)OC)OC1=O)OCc1ccccc1
• Title of publication: Collective synthesis of aspulvinone and its analogues by vinylogous aldol condensation of substituted tetronic acids with aldehydes.
• Authors of publication: Yu, Xiaotan; Gu, Xiaoxia; Zhao, Yunpeng; Wang, Fengqing; Sun, Weiguang; Qi, Changxing; Gu, Lianghu; Zhang, Yonghui
• Journal of publication: RSC advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 4859 - 4864
• a: 9.5414 ± 0.0002 Å
• b: 13.4295 ± 0.0003 Å
• c: 13.5307 ± 0.0003 Å
• α: 70.624 ± 0.002°
• β: 84.081 ± 0.002°
• γ: 82.783 ± 0.002°
• Cell volume: 1619.12 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No