Information card for entry 4104353

Structure parameters

• Common name: RMZ2.024
• Chemical name: TOSTE01
• Formula: C27 H35 Au Cl P
• Calculated formula: C27 H35 Au Cl P
• SMILES: C1(CCCCC1)[P](C1CCCCC1)(C(=C(c1ccccc1)c1ccccc1)C)[Au]Cl
• 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: 9.3733 ± 0.0008 Å
• b: 11.97 ± 0.001 Å
• c: 13.4864 ± 0.0017 Å
• α: 114.492 ± 0.002°
• β: 91.662 ± 0.002°
• γ: 111.942 ± 0.001°
• Cell volume: 1246.6 ± 0.2 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No