Information card for entry 1508203

Structure parameters

• Formula: C60 H62 Au2 Cl2 P2
• Calculated formula: C60 H62 Au2 Cl2 P2
• SMILES: [Au](Cl)[P](c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1c2ccc(c1)CCc1c([P]([Au]Cl)(c3cc(cc(c3)C)C)c3cc(cc(c3)C)C)cc(CC2)cc1.c1ccccc1.c1ccccc1
• Title of publication: A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes.
• Authors of publication: Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 5
• Pages of publication: 405 - 409
• a: 11.4778 ± 0.0002 Å
• b: 16.5221 ± 0.0003 Å
• c: 27.708 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5254.47 ± 0.15 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0252
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No