Information card for entry 4126453

Structure parameters

• Formula: C48.5 H45 Au2 Cl3 Fe P2
• Calculated formula: C48.5 H45 Au2 Cl3 Fe P2
• Title of publication: Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.
• Authors of publication: García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.7462 ± 0.0008 Å
• b: 10.3072 ± 0.0009 Å
• c: 20.126 ± 0.003 Å
• α: 90°
• β: 90.695 ± 0.004°
• γ: 90°
• Cell volume: 2229.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No