Information card for entry 7161053

Structure parameters

• Formula: C32 H41 N5 O6
• Calculated formula: C32 H41 N5 O6
• Title of publication: Ugi multicomponent reactions of optically active aldehydes and chiral aminoindanols: diastereoselective synthesis of bisamides relevant to SARS-CoV-2 Mpro inhibitors.
• Authors of publication: Ghosh, Arun K.; Bhattacharjee, Amlan; Jayashankar, Uttara; Bogan, Sydney N.; Mesecar, Andrew D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• a: 9.6747 ± 0.0005 Å
• b: 10.7211 ± 0.0004 Å
• c: 15.9751 ± 0.0006 Å
• α: 90°
• β: 92.949 ± 0.003°
• γ: 90°
• Cell volume: 1654.8 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No