Information card for entry 7248337

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
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 5397 - 5408
• a: 8.746 ± 0.005 Å
• b: 14.913 ± 0.009 Å
• c: 12.807 ± 0.008 Å
• α: 90°
• β: 96.41 ± 0.02°
• γ: 90°
• Cell volume: 1660 ± 1.7 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: 0.1063
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No