Information card for entry 4133132

Structure parameters

• Formula: C24 H29 N O5 S
• Calculated formula: C24 H29 N O5 S
• Title of publication: Ti-Catalyzed Radical Alkylation of Secondary and Tertiary Alkyl Chlorides Using Michael Acceptors.
• Authors of publication: Wu, Xiangyu; Hao, Wei; Ye, Ke-Yin; Jiang, Binyang; Pombar, Gisselle; Song, Zhidong; Lin, Song
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 44
• Pages of publication: 14836 - 14843
• a: 8.9859 ± 0.0001 Å
• b: 10.7111 ± 0.0001 Å
• c: 12.6455 ± 0.0002 Å
• α: 80.524 ± 0.001°
• β: 74.47 ± 0.001°
• γ: 72.238 ± 0.001°
• Cell volume: 1112.21 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No