Information card for entry 7227845

Structure parameters

• Formula: C22 H27 Cl N2 O2
• Calculated formula: C22 H27 Cl N2 O2
• SMILES: Clc1ccc(OC2=C(CC[C@H]3N2C[C@@H]2CCCN4CCC[C@H]3[C@H]24)C=O)cc1
• Title of publication: Semisynthesis of some matrine ether derivatives as insecticidal agents
• Authors of publication: Huang, Jiu-Lin; Lv, Min; Xu, Hui
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 26
• Pages of publication: 15997
• a: 6.1435 ± 0.0005 Å
• b: 17.5376 ± 0.0012 Å
• c: 18.541 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1997.6 ± 0.3 ų
• Cell temperature: 294.05 ± 0.1 K
• Ambient diffraction temperature: 294.05 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.157
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No