Information card for entry 7248184

Structure parameters

• Chemical name: 3,6-Bis(5-(4,4,5,5-tetramethyl-4,5-dihydro-3oxid-1-oxyl-1-H-imidazol-2-yl)-thiophene-2yl)-2,5-dihexyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
• Formula: C41 H56 Cl2 N6 O6 S2
• Calculated formula: C41 H56 Cl2 N6 O6 S2
• Title of publication: Synthesis and photoinduced behavior of DPP-anchored nitronyl nitroxides: a multifaceted approach
• Authors of publication: Tretyakov, Evgeny; Gorbunov, Dmitry; Gritsan, Nina; Keerthi, Ashok; Baumgarten, Martin; Schollmeyer, Dieter; Ivanov, Mikhail; Sergeeva, Anna; Fedin, Matvey
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 6178 - 6189
• a: 7.4729 ± 0.001 Å
• b: 16.121 ± 0.002 Å
• c: 19.743 ± 0.003 Å
• α: 67.095 ± 0.01°
• β: 88.242 ± 0.011°
• γ: 84.135 ± 0.011°
• Cell volume: 2179.3 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.343
• Residual factor for significantly intense reflections: 0.1407
• Weighted residual factors for significantly intense reflections: 0.3299
• Weighted residual factors for all reflections included in the refinement: 0.4395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No