Information card for entry 7240256

Structure parameters

• Formula: C33 H48 Cl N O
• Calculated formula: C33 H48 Cl N O
• Title of publication: Synthesis of α-enaminones from cyclic ketones and anilines using oxoammonium salt as an oxygen transfer reagent
• Authors of publication: Xu, Biping; Shang, Yaping; Jie, Xiaoming; Zhang, Xiaofeng; Kan, Jian; Yedage, Subhash Laxman; Su, Weiping
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 6
• Pages of publication: 1827 - 1831
• a: 9.563 ± 0.0006 Å
• b: 12.5988 ± 0.0007 Å
• c: 25.0296 ± 0.0014 Å
• α: 81.062 ± 0.003°
• β: 88.375 ± 0.003°
• γ: 88.956 ± 0.003°
• Cell volume: 2977.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No