Information card for entry 7125698

Structure parameters

• Common name: Guaianelactone A
• Chemical name: (1S,3aR,4R,7R,8aS)-4-hydroxy-1,4-dimethyl-9-methyleneoctahydro-1H-3a,7-(epoxyethano)azulen-10-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: 16.7954 ± 0.0001 Å
• b: 10.6132 ± 0.0001 Å
• c: 16.8783 ± 0.0001 Å
• α: 90°
• β: 119.057 ± 0.001°
• γ: 90°
• Cell volume: 2629.93 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No