Information card for entry 1542440

Structure parameters

• Formula: C25 H38 O6
• Calculated formula: C25 H38 O6
• SMILES: O1C(O[C@@H]2[C@]34[C@@H]1[C@@H](OC4)C[C@](O)([C@@]13OC([C@H](C2)[C@H]1OCC#C)(C)C)C)(CCC)CCC
• Title of publication: Exploration of Novel Botanical Insecticide Leads: Synthesis and Insecticidal Activity of β-Dihydroagarofuran Derivatives.
• Authors of publication: Zhao, Ximei; Xi, Xin; Hu, Zhan; Wu, Wenjun; Zhang, Jiwen
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2016
• Journal volume: 64
• Journal issue: 7
• Pages of publication: 1503 - 1508
• a: 8.313 ± 0.002 Å
• b: 16.817 ± 0.004 Å
• c: 17.345 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2424.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No