Information card for entry 7125699

Structure parameters

• Common name: Guaianelactone C
• Chemical name: (4R,7S,7aS,10R,10aR)-10-hydroxy-7,10-dimethyl-3-methyleneoctahydro-4,10a-methanocyclopenta[b]oxonin-2(3H)-one
• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• Title of publication: Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2.
• Authors of publication: Ruan, Qing-Feng; Jiang, Shi-Qin; Zheng, Xiao-Yun; Tang, Yu-Qian; Yang, Bao; Yi, Tao; Jin, Jing; Cui, Hui; Zhao, Zhongxiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1517 - 1520
• a: 9.72709 ± 0.00004 Å
• b: 9.72709 ± 0.00004 Å
• c: 28.60837 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2706.82 ± 0.02 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No