Information card for entry 7132154

Structure parameters

• Formula: C29 H23 N3 O5 S
• Calculated formula: C29 H23 N3 O5 S
• SMILES: S(=O)(=O)(C(Cc1n2c(nc1c1cc(N(=O)=O)ccc1)cccc2)C(=O)c1ccccc1)c1ccc(C)cc1
• Title of publication: Ketosulfonylmethylenation and Sulfonylethyleneation of Imidazoheterocycles with Dimethylformamide as Methylene Source
• Authors of publication: Guo, Tao; Hu, Penghua; Liu, Yu; Zhang, Panke; Zhao, Yun-Hui; Zhu, Congjun
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 7.1153 ± 0.0004 Å
• b: 12.1904 ± 0.0007 Å
• c: 14.8931 ± 0.0008 Å
• α: 79.211 ± 0.002°
• β: 77.257 ± 0.002°
• γ: 80.078 ± 0.002°
• Cell volume: 1226.09 ± 0.12 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No