Information card for entry 4104352

Structure parameters

• Formula: C23 H31 Au Cl P
• Calculated formula: C23 H31 Au Cl P
• SMILES: [Au](Cl)[P](C(=C(c1ccccc1)c1ccccc1)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Ligand-Controlled Access to [4 + 2] and [4 + 3] Cycloadditions in Gold-Catalyzed Reactions of Allene-Dienes
• Authors of publication: Pablo Mauleón; Rachel M. Zeldin; Ana Z. González; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 6348 - 6349
• a: 10.0379 ± 0.0009 Å
• b: 15.6091 ± 0.0015 Å
• c: 14.2205 ± 0.0014 Å
• α: 90°
• β: 90.283 ± 0.001°
• γ: 90°
• Cell volume: 2228.1 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No