Information card for entry 1557853

Structure parameters

• Formula: C15 H24 O4
• Calculated formula: C15 H24 O4
• SMILES: O[C@@](C1=C[C@@]2(C(=O)C)[C@@H](O)CC[C@]2(CC1)C)(CO)C.O[C@](C1=C[C@]2(C(=O)C)[C@H](O)CC[C@@]2(CC1)C)(CO)C
• Title of publication: Cyperane-Type and Related (Nor)Sesquiterpenoids from the Root Bark of Acanthopanax gracilistylus and Their Inhibitory Effects on Nitric Oxide Production
• Authors of publication: Xu, Hong-Bo; Yang, Tong-Hua; Xie, Pei; Tang, Zhi-Shu; Xu, Huai-Li; Deng, Chong; Liang, Yan-Ni; Zhou, Rui; Liu, Shi-Jun; Zhang, Yu
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 8.5031 ± 0.0011 Å
• b: 8.6453 ± 0.0011 Å
• c: 9.5875 ± 0.0013 Å
• α: 82.846 ± 0.003°
• β: 86.058 ± 0.003°
• γ: 88.035 ± 0.003°
• Cell volume: 697.42 ± 0.16 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153.02 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No