Information card for entry 7156416

Structure parameters

• Formula: C79 H90 O8
• Calculated formula: C79 H90 O8
• Title of publication: Dimericursones A and B: two unprecedented hexacyclic dimeric diterpenoids from the root barks of Jatropha curcas.
• Authors of publication: Liu, Jie-Qing; Xu, Ying; Xiao, Qin; Huang, Jin-Di; Ma, Jun-Jie; Lian, Chen-Lei; Huang, Mei-Ying; Du, Zhen-Bo; Wang, Cui-Fang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8305 - 8310
• a: 20.7367 ± 0.0006 Å
• b: 19.2582 ± 0.0005 Å
• c: 8.3754 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3344.73 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No