Information card for entry 7227842

Structure parameters

• Formula: C16 H24 Cl N2 O
• Calculated formula: C16 H24 Cl N2 O
• SMILES: ClC1=C(CC[C@H]2N1C[C@@H]1CCCN3CCC[C@H]2[C@H]13)C=O
• 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: 8.4983 ± 0.0005 Å
• b: 8.3756 ± 0.0005 Å
• c: 10.7054 ± 0.0007 Å
• α: 90°
• β: 106.311 ± 0.006°
• γ: 90°
• Cell volume: 731.32 ± 0.08 ų
• Cell temperature: 295.35 ± 0.1 K
• Ambient diffraction temperature: 295.35 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No