Information card for entry 1547702

Structure parameters

• Formula: C17 H22 O5
• Calculated formula: C17 H22 O5
• SMILES: [C@]12([C@@]34[C@@]5(C(=O)[C@H](C2)OC1)C[C@@]1([C@@H](CC[C@H]1[C@@](C5)(C)O4)C)O3)O
• Title of publication: Manginoids A-G: Seven Monoterpene-Shikimate-Conjugated Meroterpenoids with a Spiro Ring System from Guignardia mangiferae.
• Authors of publication: Chen, Keliang; Zhang, Xuwen; Sun, Weiguang; Liu, Junjun; Yang, Jing; Chen, Chunmei; Liu, Xiulan; Gao, Limin; Wang, Jianping; Li, Hua; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5956 - 5959
• a: 9.7097 ± 0.0002 Å
• b: 12.1431 ± 0.0003 Å
• c: 12.8881 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1519.58 ± 0.07 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: 0.0356
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.0964
• 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