Information card for entry 7217897

Structure parameters

• Chemical name: Equisetumone
• Formula: C15 H26 O7
• Calculated formula: C15 H26 O7
• SMILES: [C@]12([C@@H](C[C@@]3([C@](CC(=O)O3)([C@]([C@H]1CC2(C)C)(C)O)O)C)O)O.O
• Title of publication: Equisetumone, a novel 4-5-olide secocaryophyllane sesquiterpene from Equisetum palustre
• Authors of publication: Wei, Zuo-Fu; Chen, Yung-Husan; Sung, Ping-Jyun; Wang, Guey-Horng; Liou, Jing-Ru; Wang, Sheng-Yang; Chang, Shang Tzen; Zu, Yuan-Gang; Chiang, Michael, Y.; Fu, Yujie; Chang, F.-R.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.4125 ± 0.0004 Å
• b: 9.9012 ± 0.0004 Å
• c: 16.0619 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1496.89 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No