Information card for entry 7158811

Structure parameters

• Chemical name: 3-(5-Bromo-1-(pyrimidin-2-yl)-1H-indol-2-yl)-1-phenylpyrrolidine-2,5-dione
• Formula: C22 H15 Br N4 O2
• Calculated formula: C22 H15 Br N4 O2
• SMILES: Brc1ccc2n(c(cc2c1)C1C(=O)N(C(=O)C1)c1ccccc1)c1ncccn1
• Title of publication: Transition Metal-Catalyzed Regioselective Functionalization of Carbazoles and Indolines with Maleimides
• Authors of publication: Cho, Eun Hee; Akhtar, Muhammad Saeed; Aslam, Mohammad; Thombal, Raju S.; Li, Xin; Shim, Jae-Jin; Lee, Yong Rok
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 17.315 ± 0.011 Å
• b: 7.025 ± 0.005 Å
• c: 17.444 ± 0.011 Å
• α: 90°
• β: 99.42 ± 0.03°
• γ: 90°
• Cell volume: 2093 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No