Information card for entry 1569930

Structure parameters

• Chemical name: (2R,4R,5S,7S,9R)-eremophila-1(10),11-dien-2,9-diol
• Formula: C46 H76 O7
• Calculated formula: C46 H76 O7
• Title of publication: Eremophilane and cadinane sesquiterpenoids from the fruits of <i>Alpinia oxyphylla</i> and their anti-inflammatory activities.
• Authors of publication: Dong, Jie; Zhou, Mi; Pan, Da-Bo; Qin, Qian-Yu; Li, Ting; Yao, Xin-Sheng; Li, Hai-Bo; Yu, Yang
• Journal of publication: Food & function
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 9755 - 9766
• a: 8.1552 ± 0.0006 Å
• b: 20.429 ± 0.002 Å
• c: 27.192 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4530.3 ± 0.7 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 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: 0.1099
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No