Information card for entry 7248336

Structure parameters

• Formula: C21 H21 N O2
• Calculated formula: C21 H21 N O2
• Title of publication: N-Heterocyclic Carbene and photocatalyst-catalyzed rapid access to indole ketones via radical C(sp3)-H acylation
• Authors of publication: Nie, Guihua; Tu, Ting; Liao, Tianhui; Liu, Donghan; Ye, Wenjun; Ren, Shi-Chao
• Journal of publication: Green Chemistry
• Year of publication: 2024
• a: 9.6651 ± 0.0006 Å
• b: 10.0573 ± 0.0007 Å
• c: 18.1252 ± 0.0012 Å
• α: 83.474 ± 0.002°
• β: 89.157 ± 0.002°
• γ: 70.718 ± 0.002°
• Cell volume: 1651.76 ± 0.19 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No