Information card for entry 1542439

Structure parameters

• Formula: C23 H29.5 O6
• Calculated formula: C23 H29.5 O6
• SMILES: O1C2(O[C@H]3[C@@]45[C@H]1[C@H](OC5)C[C@@](O)([C@]14OC([C@@H](C3)[C@@H]1OCC#C)(C)C)C)CC=CC2
• 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: 12.18 ± 0.005 Å
• b: 15.448 ± 0.006 Å
• c: 22.984 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4325 ± 3 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: 0.1008
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.161
• 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