Information card for entry 1501836

Structure parameters

• Formula: C16 H22 O10
• Calculated formula: C14.92 H20.56 O10
• SMILES: O=C1O[C@H](O)C[C@@H]2C1=CO[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@@H]2C=C
• Title of publication: Homosecoiridoids from the flower buds of Lonicera japonica.
• Authors of publication: Yu, Yang; Song, Weixia; Zhu, Chenggen; Lin, Sheng; Zhao, Feng; Wu, Xiuli; Yue, Zhenggang; Liu, Bo; Wang, Sujuan; Yuan, Shaopeng; Hou, Qi; Shi, Jiangong
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 2151 - 2160
• a: 8.4601 ± 0.0017 Å
• b: 11.033 ± 0.002 Å
• c: 18.202 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1699 ± 0.6 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: 0.0864
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No