Information card for entry 1552701

Structure parameters

• Formula: C15 H22 O2
• Calculated formula: C15 H22 O2
• SMILES: O=C(O)C1=C[C@@H]2[C@@H](CC1)C(=C)CC[C@H]2C(C)C
• Title of publication: Trichocadinins B-G: Antimicrobial Cadinane Sesquiterpenes from <i>Trichoderma virens</i> QA-8, an Endophytic Fungus Obtained from the Medicinal Plant <i>Artemisia argyi</i>.
• Authors of publication: Shi, Xiao-Shan; Meng, Ling-Hong; Li, Xiao-Ming; Li, Xin; Wang, Dun-Jia; Li, Hong-Lei; Zhou, Xing-Wang; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 2470 - 2476
• a: 5.3671 ± 0.0004 Å
• b: 16.4292 ± 0.0016 Å
• c: 15.9007 ± 0.0013 Å
• α: 90°
• β: 95.71 ± 0.003°
• γ: 90°
• Cell volume: 1395.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0996
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No