Information card for entry 1556850

Structure parameters

• Formula: C20 H28 O3
• Calculated formula: C20 H28 O3
• SMILES: O=C1C[C@]2([C@@H]3[C@@H](O)[C@@H]4C(=O)C[C@@H](C)[C@]3(C4(C)C)CCC(=C12)C)C
• Title of publication: l-Phenylalanine Alters the Privileged Secondary Metabolite Production in the Marine-Derived Fungus Trichoderma erinaceum F1-1
• Authors of publication: Guo, Yong-Wei; Gong, Ben-Qiang; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Huang, Yun; Li, Jian-Feng; Yang, De-Po; Lan, Wen-Jian
• Journal of publication: Journal of Natural Products
• Year of publication: 2019
• a: 8.26597 ± 0.00008 Å
• b: 9.64323 ± 0.00009 Å
• c: 10.64668 ± 0.00011 Å
• α: 90°
• β: 98.2546 ± 0.0009°
• γ: 90°
• Cell volume: 839.862 ± 0.014 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No