Information card for entry 7228341

Structure parameters

• Formula: C24 H25 N O5
• Calculated formula: C24 H25 N O5
• SMILES: O1[C@H]([C@]2(C(=C(CCC2)C)C1=O)C)c1cc(oc1)/C(=N/OC(=O)c1ccc(cc1)C)C
• Title of publication: Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents
• Authors of publication: Guo, Yong; Yang, Ruige; Xu, Hui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 45
• Pages of publication: 28009
• a: 8.2307 ± 0.0005 Å
• b: 23.9115 ± 0.0014 Å
• c: 11.3903 ± 0.001 Å
• α: 90°
• β: 107.192 ± 0.007°
• γ: 90°
• Cell volume: 2141.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No