Information card for entry 7125826

Structure parameters

• Formula: C24 H26 Br N O2
• Calculated formula: C24 H26 Br N O2
• Title of publication: A lutidine-promoted photoredox catalytic atom-transfer radical cyclization reaction for the synthesis of 4-bromo-3,3-dialkyl-octahydro-indol-2-ones.
• Authors of publication: Zhao, Quan-Sheng; Xu, Guo-Qiang; Xu, Ji-Tao; Wang, Zhu-Yin; Xu, Peng-Fei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 14
• Pages of publication: 2206 - 2209
• a: 8.8862 ± 0.0004 Å
• b: 9.2731 ± 0.0005 Å
• c: 14.1317 ± 0.0006 Å
• α: 90.728 ± 0.004°
• β: 101.126 ± 0.004°
• γ: 116.691 ± 0.005°
• Cell volume: 1014.27 ± 0.1 ų
• Cell temperature: 291.19 ± 0.19 K
• Ambient diffraction temperature: 291.19 ± 0.19 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: 0.043
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No