Information card for entry 1559809

Structure parameters

• Formula: C15 H22 O4
• Calculated formula: C15 H22 O4
• SMILES: O1[C@H]2[C@]3(OC3)[C@]([C@H](O)C2)([C@@]2([C@H]1C=C(CC2)CO)C)C
• Title of publication: Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.
• Authors of publication: Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2020
• Journal volume: 68
• Journal issue: 52
• Pages of publication: 15440 - 15448
• a: 22.252 ± 0.002 Å
• b: 6.8553 ± 0.0006 Å
• c: 8.7551 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.5 ± 0.2 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: 0.1309
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.1901
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No