Information card for entry 1553361

Structure parameters

• Formula: C17 H18 O4
• Calculated formula: C17 H18 O4
• SMILES: O=C1[C@@H]2C[C@H](O)[C@@H](OC)[C@@]2(c2c1c1c(cc2)C(=O)CC1)C
• Title of publication: Trichorenins A-C, Algicidal Tetracyclic Metabolites from the Marine-Alga-Epiphytic Fungus Trichoderma virens Y13-3.
• Authors of publication: Shi, Zhen-Zhen; Miao, Feng-Ping; Fang, Sheng-Tao; Yin, Xiu-Li; Ji, Nai-Yun
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 4
• Pages of publication: 1121 - 1124
• a: 7.4196 ± 0.0003 Å
• b: 10.8293 ± 0.0005 Å
• c: 17.811 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1431.1 ± 0.11 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: 0.0481
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No