Information card for entry 1575621

Structure parameters

• Formula: C31 H29 Br Co0.5 O1.5 P2
• Calculated formula: C31 H29 Br Co0.5 O1.5 P2
• Title of publication: Cobalt-catalyzed direct carbonylative 3-acylation of (N-H)Indoles with alkyl halides.
• Authors of publication: Xu, Chao; Bao, Zhi-Peng; Shao, Sufang; Wu, Xiao-Feng
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 18838 - 18843
• a: 15.539 ± 0.0004 Å
• b: 9.5032 ± 0.0002 Å
• c: 18.1818 ± 0.0004 Å
• α: 90°
• β: 97.433 ± 0.002°
• γ: 90°
• Cell volume: 2662.35 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No