Information card for entry 1554534

Structure parameters

• Formula: C28 H33 Au Cl O2 P
• Calculated formula: C28 H33 Au Cl O2 P
• SMILES: [Au](C(C(=O)Oc1ccccc1)Cl)[P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1ccccc1
• Title of publication: Gold-catalyzed oxidative cycloalkenations of alkynes with quinoline N-oxides
• Authors of publication: Wagh, Sachin Bhausaheb; Sharma, Pankaj; Patil, Manoj D.; Liu, Rai-Shung
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 226
• a: 9.2179 ± 0.0004 Å
• b: 10.4777 ± 0.0005 Å
• c: 14.2247 ± 0.0007 Å
• α: 100.062 ± 0.002°
• β: 92.031 ± 0.002°
• γ: 103.287 ± 0.002°
• Cell volume: 1312.41 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No