Information card for entry 7157804

Structure parameters

• Formula: C17 H16 O5
• Calculated formula: C17 H16 O5
• SMILES: O1c2ccccc2[C@H](C2=C1CCCC2=O)CC(=O)C(=O)OC
• Title of publication: Asymmetric synthesis of 9-alkyl tetrahydroxanthenones <i>via</i> tandem asymmetric Michael/cyclization promoted by chiral phosphoric acid.
• Authors of publication: Gao, Yu-Qi; Hou, Yi; Chen, Junhan; Zhen, Yanxia; Xu, Dongyang; Zhang, Hongli; Wei, Hongbo; Xie, Weiqing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 348 - 354
• a: 9.5125 ± 0.0009 Å
• b: 10.2643 ± 0.001 Å
• c: 14.9575 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1460.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No