Information card for entry 7249150

Structure parameters

• Formula: C8 H11 F3 N2 O5 S
• Calculated formula: C8 H11 F3 N2 O5 S
• Title of publication: Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity
• Authors of publication: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 8.7426 ± 0.0003 Å
• b: 8.8249 ± 0.0003 Å
• c: 15.7395 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1214.34 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0304
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No