Information card for entry 4102342

Structure parameters

• Formula: C18 H30 Au N2 O4 P
• Calculated formula: C18 H30 Au N2 O4 P
• SMILES: [Au](c1c(N(=O)=O)cccc1N(=O)=O)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Gold(I)-Mediated C-H Activation of Arenes
• Authors of publication: Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5580 - 5581
• a: 8.837 ± 0.004 Å
• b: 20.754 ± 0.007 Å
• c: 11.608 ± 0.005 Å
• α: 90°
• β: 106.169 ± 0.012°
• γ: 90°
• Cell volume: 2044.7 ± 1.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No