Information card for entry 1546123

Structure parameters

• Formula: C10 H18 O4
• Calculated formula: C10 H18 O4
• SMILES: OC(C)([C@@H](O)CCC(=C\C(=O)O)\C)C
• Title of publication: Bioactive Glycosides from the Twigs of Litsea cubeba.
• Authors of publication: Wang, Ling-Yan; Chen, Ming-Hua; Wu, Jiang; Sun, Hua; Liu, Wei; Qu, Yu-Hong; Li, Yan-Cheng; Wu, Yu-Zhuo; Li, Rui; Zhang, Dan; Wang, Su-Juan; Lin, Sheng
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 1808 - 1818
• a: 19.296 ± 0.0008 Å
• b: 8.0943 ± 0.0004 Å
• c: 6.9478 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1085.16 ± 0.08 ų
• Cell temperature: 104.2 K
• Ambient diffraction temperature: 104.2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No