Information card for entry 7158134

Structure parameters

• Formula: C12 H14 O4
• Calculated formula: C11.95 H13.9 O4
• Title of publication: Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.
• Authors of publication: Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 27
• Pages of publication: 6030 - 6037
• a: 15.6505 ± 0.0004 Å
• b: 4.3519 ± 0.0001 Å
• c: 17.2668 ± 0.0005 Å
• α: 90°
• β: 115.015 ± 0.004°
• γ: 90°
• Cell volume: 1065.72 ± 0.06 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No