Information card for entry 4515731

Structure parameters

• Formula: C20 H20 Br Cl2 N O Pt
• Calculated formula: C20 H20 Br Cl2 N O Pt
• Title of publication: Divergent Catalytic Approach from Cyclic Oxime Esters to Nitrogen-Containing Heterocycles with Group 9 Metal Catalysts
• Authors of publication: Shimbayashi, Takuya; Matsushita, Gaku; Nanya, Atsushi; Eguchi, Akira; Okamoto, Kazuhiro; Ohe, Kouichi
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 7773
• a: 9.7404 ± 0.0006 Å
• b: 13.3126 ± 0.0008 Å
• c: 17.0002 ± 0.001 Å
• α: 90°
• β: 104.115 ± 0.003°
• γ: 90°
• Cell volume: 2137.9 ± 0.2 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No