Information card for entry 7160815

Structure parameters

• Formula: C80 H98 Au2 N6 O2
• Calculated formula: C80 H98 Au2 N6 O2
• Title of publication: Digold photosensitizer for visible light [2 + 2] cycloaddition and <i>E</i>/<i>Z</i> isomerization reactions.
• Authors of publication: Ruggiero, Tommaso; Fortwengler, James; Van Hecke, Kristof; Thompson, Mark E.; Heugebaert, Thomas S. A.; Nolan, Steven P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 44
• Pages of publication: 10143 - 10149
• a: 13.2 ± 0.0002 Å
• b: 15.005 ± 0.0002 Å
• c: 18.9581 ± 0.0003 Å
• α: 87.004 ± 0.001°
• β: 75.633 ± 0.002°
• γ: 82.273 ± 0.001°
• Cell volume: 3603.8 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No