Information card for entry 1511893

Structure parameters

• Formula: C33 H53 Au Cl P
• Calculated formula: C33 H53 Au Cl P
• SMILES: [Au](Cl)[P](c1c(c(c(c(c1C)C)C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Gold(I)-Catalyzed Macrocyclization of 1,n-Enynes
• Authors of publication: Obradors, Carla; Leboeuf, David; Aydin, Juhanes; Echavarren, Antonio M.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1576
• a: 12.376 ± 0.0009 Å
• b: 16.1339 ± 0.0012 Å
• c: 16.0235 ± 0.0012 Å
• α: 90°
• β: 94.179 ± 0.002°
• γ: 90°
• Cell volume: 3191 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0313
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No