Information card for entry 1511892

Structure parameters

• Formula: C31 H49 Au Cl O2 P
• Calculated formula: C31 H49 Au Cl O2 P
• SMILES: [Au]([P](c1c(OC)ccc(OC)c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C(C)(C)C)C(C)(C)C)Cl
• 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: 9.0124 ± 0.0009 Å
• b: 20.098 ± 0.002 Å
• c: 17.2357 ± 0.0017 Å
• α: 90°
• β: 95.571 ± 0.003°
• γ: 90°
• Cell volume: 3107.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0294
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No