Information card for entry 7248338

Structure parameters

• Formula: C20 H19 N O2
• Calculated formula: C20 H19 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: 9.9529 ± 0.0005 Å
• b: 15.6474 ± 0.0006 Å
• c: 10.0527 ± 0.0005 Å
• α: 90°
• β: 99.83 ± 0.002°
• γ: 90°
• Cell volume: 1542.59 ± 0.12 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No