Information card for entry 4022066

Structure parameters

• Formula: C38 H32 Cl2 Rh2
• Calculated formula: C38 H32 Cl2 Rh2
• SMILES: [CH]12=[C]3([C@H]4[CH]5=[C]([C@@H]1C4)([Rh]1235[Cl][Rh]234([CH]5=[C]2([C@H]2[CH]3=[C]4([C@@H]5C2)c2ccccc2)c2ccccc2)[Cl]1)c1ccccc1)c1ccccc1
• Title of publication: Expanding the C2-Symmetric Bicyclo[2.2.1]hepta-2,5-diene Ligand Family: Concise Synthesis and Catalytic Activity in Rhodium-Catalyzed Asymmetric Addition
• Authors of publication: Guillaume Berthon-Gelloz; Tamio Hayashi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 8957 - 8960
• a: 17.111 ± 0.009 Å
• b: 8.01 ± 0.005 Å
• c: 11.588 ± 0.006 Å
• α: 90°
• β: 105.1 ± 0.02°
• γ: 90°
• Cell volume: 1533.4 ± 1.4 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No