Information card for entry 7158478

Structure parameters

• Formula: C24 H18 N2
• Calculated formula: C24 H18 N2
• SMILES: n12c3c(nc(c4ccccc4)c1ccc2c1ccc(cc1)C)cccc3
• Title of publication: Pd-Catalyzed direct C-H arylation of pyrrolo[1,2-<i>a</i>]quinoxalines.
• Authors of publication: Hao, Di; Yang, Zhen; Liu, Yali; Li, Yang; Li, Chuntian; Gu, Yanlong; Vaccaro, Luigi; Liu, Jichang; Liu, Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 4
• Pages of publication: 847 - 851
• a: 7.0437 ± 0.0002 Å
• b: 9.699 ± 0.0003 Å
• c: 25.3194 ± 0.0007 Å
• α: 90°
• β: 93.25 ± 0.002°
• γ: 90°
• Cell volume: 1726.96 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No