Information card for entry 7159942

Structure parameters

• Formula: C18 H20 O5
• Calculated formula: C18 H20 O5
• SMILES: O1C(=O)[C@@H]([C@H]2C3C(C=C(OC=3)C)=CC(=O)[C@]12C)C(=O)[C@H](CC)C
• Title of publication: Neuroprotective azaphilones from a deep-sea derived fungus <i>Penicillium</i> sp. SCSIO41030.
• Authors of publication: Chen, Weihao; Jiang, Jiahui; Pang, Xiaoyan; Song, Yingying; Yang, Zhiyou; Wang, Junfeng; Liu, Yonghong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 22
• Pages of publication: 4521 - 4527
• a: 5.4408 ± 0.0006 Å
• b: 10.6295 ± 0.0014 Å
• c: 26.948 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1558.5 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.1047
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No