Information card for entry 7161054

Structure parameters

• Chemical name: N-((2R,3R)-1-(tert-butylamino)-3-((tert-butyldimethylsilyl)oxy)-1-oxobutan-2- yl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-1H-imidazole-4-carboxamide
• Formula: C27 H42 N4 O4 Si
• Calculated formula: C27 H42 N4 O4 Si
• 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: 9.683 ± 0.0006 Å
• b: 16.9749 ± 0.0011 Å
• c: 18.0741 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2970.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No