Information card for entry 1553243

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O1C(=O)c2c(O)cc(OC)cc2CCCCC[C@H]1C
• Title of publication: Bioactive Resorcylic Acid Lactones with Different Ring Systems from Desert Plant Chaetosphaeronema hispidulum. [corrected].
• Authors of publication: Zhang, Xiao-Yan; Liu, Zhan-Liang; Sun, Bing-Da; Niu, Shu-Bin; Wang, Meng-Hua; Tan, Xiang-Mei; Zou, Zhong-Mei; Ding, Gang
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2018
• Journal volume: 66
• Journal issue: 34
• Pages of publication: 8976 - 8982
• a: 13.0489 ± 0.0003 Å
• b: 12.6807 ± 0.0003 Å
• c: 7.92534 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1311.4 ± 0.05 ų
• Cell temperature: 108.5 K
• Ambient diffraction temperature: 108.5 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: 0.033
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No