Information card for entry 4347027

Structure parameters

• Formula: C31 H48 Au Cl O P2
• Calculated formula: C31 H48 Au Cl O P2
• SMILES: c12cccc3c1Oc1c(C3(C)C)cccc1[P](C(C)(C)C)(C(C)(C)C)[Au](Cl)[P]2(C(C)(C)C)C(C)(C)C
• Title of publication: Constructing a Catalytic Cycle for C-F to C-X (X = O, S, N) Bond Transformation Based on Gold-Mediated Ligand Nucleophilic Attack.
• Authors of publication: Hu, Ji-Yun; Zhang, Jing; Wang, Gao-Xiang; Sun, Hao-Ling; Zhang, Jun-Long
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2274 - 2283
• a: 11.267 ± 0.003 Å
• b: 16.845 ± 0.004 Å
• c: 17.434 ± 0.004 Å
• α: 90°
• β: 104.795 ± 0.004°
• γ: 90°
• Cell volume: 3199.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No