Information card for entry 7246230

Structure parameters

• Formula: C24 H26 N4 O5 S
• Calculated formula: C24 H26 N4 O5 S
• SMILES: S1(=O)(=O)CCC(C(=O)N(c2c(C)cccc2C)CC(=O)Nc2ccc(cc2)c2ncon2)CC1
• Title of publication: Amenamevir by Ugi-4CR
• Authors of publication: Li, Xin; Zarganes-Tzitzikas, Tryfon; Kurpiewska, Katarzyna; Dömling, Alexander
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 4
• Pages of publication: 1322 - 1325
• a: 19.6089 ± 0.0003 Å
• b: 13.7807 ± 0.0002 Å
• c: 17.823 ± 0.0003 Å
• α: 90°
• β: 101.936 ± 0.002°
• γ: 90°
• Cell volume: 4712.08 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No