Information card for entry 7157145

Structure parameters

• Formula: C27 H24 N2 O5 S
• Calculated formula: C27 H24 N2 O5 S
• Title of publication: Primary amine catalyzed diastereo- and enantioselective Michael reaction of thiazolones and α,β-unsaturated ketones.
• Authors of publication: Lu, Min; Li, Hong; Zou, Chuncheng; Li, Jianchang; Liu, Chengyu; Sun, Maolin; Ma, Yueyue; Cheng, Ruihua; Ye, Jinxing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 42
• Pages of publication: 9305 - 9312
• a: 8.5917 ± 0.0013 Å
• b: 13.421 ± 0.002 Å
• c: 21.279 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2453.7 ± 0.6 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: 0.0522
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No