Information card for entry 7119067

Structure parameters

• Formula: C29 H36 Au F6 N3 O4 S2
• Calculated formula: C29 H36 Au F6 N3 O4 S2
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Title of publication: Dioxazoles, a new mild nitrene transfer reagent in gold catalysis: highly efficient synthesis of functionalized oxazoles
• Authors of publication: Ming Chen; Ning Sun; Haoyi Chen; Yuanhong Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6324
• a: 11.4418 ± 0.0008 Å
• b: 11.4418 ± 0.0008 Å
• c: 23.88 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2707.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No