Information card for entry 7157058

Structure parameters

• Chemical name: Emerone B
• Formula: C21 H30 O7
• Calculated formula: C9.77778 H13.3333 O3.11111
• 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: 7.68291 ± 0.00011 Å
• b: 12.60214 ± 0.00017 Å
• c: 21.2697 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2059.36 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No