Information card for entry 1506996

Structure parameters

• Formula: C42 H40 Cl2 Rh2
• Calculated formula: C42 H40 Cl2 Rh2
• SMILES: C(c1ccccc1)[C]12[Rh]345([C]6(=[CH]3[C@H]1C[C@@H]6[CH]=24)Cc1ccccc1)[Cl][Rh]123([C]4(=[CH]1[C@@H]1[C]2(=[CH]3[C@H]4C1)Cc1ccccc1)Cc1ccccc1)[Cl]5
• Title of publication: Chiral norbornadienes as efficient ligands for the rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids to fumaric and maleic compounds.
• Authors of publication: Shintani, Ryo; Ueyama, Kazuhito; Yamada, Ichiro; Hayashi, Tamio
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3425 - 3427
• a: 28.551 ± 0.009 Å
• b: 5.731 ± 0.002 Å
• c: 12.165 ± 0.003 Å
• α: 90°
• β: 107.15 ± 0.02°
• γ: 90°
• Cell volume: 1902 ± 1 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: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No