Information card for entry 7157057

Structure parameters

• Chemical name: Emerone A
• Formula: C22 H32 O8
• Calculated formula: C9.77778 H13.3333 O4
• Title of publication: Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.
• Authors of publication: Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 36
• Pages of publication: 8450 - 8455
• a: 11.34869 ± 0.00014 Å
• b: 12.79403 ± 0.00016 Å
• c: 14.62274 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2123.16 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0496
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No