Information card for entry 4135380

Structure parameters

• Formula: C38 H43 Au N2 O3
• Calculated formula: C38 H43 Au N2 O3
• Title of publication: Rationally Designed Redox-Active Au(I) N-Heterocyclic Carbene: An Immunogenic Cell Death Inducer.
• Authors of publication: Sen, Sajal; Hufnagel, Stephanie; Maier, Esther Y.; Aguilar, Isaiah; Selvakumar, Jayaraman; DeVore, Jennie E.; Lynch, Vincent M.; Arumugam, Kuppuswamy; Cui, Zhengrong; Sessler, Jonathan L.; Arambula, Jonathan F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 21.279 ± 0.002 Å
• b: 12.954 ± 0.0012 Å
• c: 12.0149 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3311.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No