Information card for entry 4119872

Structure parameters

• Formula: C45 H38 Au2 Cl4 O2.66667 P2
• Calculated formula: C45 H38 Au2 Cl4 O2.66667 P2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1c2OC34Oc5c([P]([Au]Cl)(c6ccccc6)c6ccccc6)cccc5C[C@@H]3CCC[C@H]4Cc2ccc1)Cl.C(Cl)Cl.O
• Title of publication: Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex
• Authors of publication: Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8197 - 8200
• a: 14.3605 ± 0.0009 Å
• b: 33.178 ± 0.002 Å
• c: 14.9816 ± 0.0009 Å
• α: 90°
• β: 106.724 ± 0.002°
• γ: 90°
• Cell volume: 6836.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No