Information card for entry 7122070

Structure parameters

• Formula: C38 H29 N2 O8 S2
• Calculated formula: C38 H29 N2 O8 S2
• Title of publication: Cu-Catalyzed switchable synthesis of functionalized pyridines and pyrroles.
• Authors of publication: Ling, Zheng; Xie, Fang; Gridnev, Ilya D.; Terada, Masahiro; Zhang, Wanbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 68
• Pages of publication: 9446 - 9449
• a: 16.3964 ± 0.0005 Å
• b: 24.3356 ± 0.0007 Å
• c: 8.2487 ± 0.0002 Å
• α: 90°
• β: 94.46 ± 0.001°
• γ: 90°
• Cell volume: 3281.4 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0431
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.65
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No