Information card for entry 7158512

Structure parameters

• Formula: C24 H19 N O3 S
• Calculated formula: C24 H19 N O3 S
• SMILES: c1c(cccc1)C(=O)c1c(c2ccccc2)cn(S(=O)(=O)c2ccc(cc2)C)c1
• Title of publication: Efficient access to 1,3,4-trisubstituted pyrroles <i>via</i> gold-catalysed cycloisomerization of 1,5-diynes.
• Authors of publication: Wan, Qiuling; Xin, Luoting; Zhang, Jian; Huang, Xueliang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 8
• Pages of publication: 1647 - 1651
• a: 8.25955 ± 0.00008 Å
• b: 10.43795 ± 0.00009 Å
• c: 22.5124 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1940.86 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.3415 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No