Information card for entry 1546584

Structure parameters

• Formula: C29 H26 Au Cl N2 O2
• Calculated formula: C29 H26 Au Cl N2 O2
• SMILES: [Au](Cl)=C1N(C2C(=O)c3ccccc3C(=O)C=2N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Dual Targeting of the Cancer Antioxidant Network with Naphthoquinone Fused Gold(I) N-heterocyclic Carbene Complexes
• Authors of publication: McCall, Rebecca; Miles, Meredith; Lascuna, Paul; Burney, Briana; Patel, Zarana; Sidoran, Kevin; Sittaramane, Vinoth; Kocerha, Jannet; Grossie, David; Sessler, Jonathan L.; Arumugam, Kuppuswamy; Arambula, Jonathan
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 19.1131 ± 0.0019 Å
• b: 19.1131 ± 0.0019 Å
• c: 14.8158 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5412.4 ± 1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183.15 K
• Number of distinct elements: 6
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No