Information card for entry 2239876

Structure parameters

• Chemical name: (<i>E</i>)-1-(4-Chlorophenyl)ethanone <i>O</i>-dehydroabietyloxime
• Formula: C28 H34 Cl N O2
• Calculated formula: C28 H34 Cl N O2
• SMILES: Clc1ccc(C(=NOC(=O)[C@]2([C@H]3[C@@](c4ccc(C(C)C)cc4CC3)(CCC2)C)C)C)cc1
• Title of publication: Crystal structure of (<i>E</i>)-1-(4-chlorophenyl)ethanone <i>O</i>-dehydroabietyloxime
• Authors of publication: Zheng, Jian-Qiang; Cui, Yan-Jie; Rao, Xiao-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o899 - o900
• a: 28.804 ± 0.006 Å
• b: 6.176 ± 0.0012 Å
• c: 13.922 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2476.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1368
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes