Information card for entry 2312961

Structure parameters

• Chemical name: 2,2,6,6-Tetramethyl-1-(λ'-oxidaneyl)piperidin-4-yl 4'-[(1,7'-dimethyl-2'-propyl-1<i>H</i>,3'<i>H</i>-[2,5'-bibenzo[<i>d</i>]imidazol]-3'-yl)methyl]-[1,1'-biphenyl]-2-carboxylate
• Formula: C42 H46 N5 O3
• Calculated formula: C42 H46 N5 O3
• Title of publication: YK-4-250, a synthetic telmisartan-tempol conjugate: crystal structure of a stabilized free radical containing an angiotensin AT₁ receptor inhibitor.
• Authors of publication: Friedrich, Simon; Kong, Yali; Musayev, Faik N.; Brown, Milton L.; Gupton, B. Frank
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 9
• Pages of publication: 547 - 552
• a: 9.4556 ± 0.0001 Å
• b: 27.1981 ± 0.0003 Å
• c: 15.01 ± 0.0002 Å
• α: 90°
• β: 106.828 ± 0.002°
• γ: 90°
• Cell volume: 3694.89 ± 0.08 ų
• Cell temperature: 294.85 ± 0.1 K
• Ambient diffraction temperature: 294.85 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No