Information card for entry 4024279

Structure parameters

• Formula: C42 H40 Cl2 Rh2
• Calculated formula: C42 H40 Cl2 Rh2
• SMILES: [Rh]1234([Cl][Rh]567([Cl]1)[C]1(=[CH]6[C@H]6C[C@H]([CH]7=[C]5(c5ccccc5)C6)C1)c1ccccc1)[C]1(C[C@H]5[CH]3=[C]2(C[C@@H]([CH]4=1)C5)c1ccccc1)c1ccccc1
• Title of publication: Tuning the Chiral Environment ofC2-Symmetric Diene Ligands: Development of 3,7-Disubstituted Bicyclo[3.3.1]nona-2,6-dienes
• Authors of publication: Ryo Shintani; Yoshitaka Ichikawa; Keishi Takatsu; Fu-Xue Chen; Tamio Hayashi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 869 - 873
• a: 12.314 ± 0.004 Å
• b: 15.29 ± 0.004 Å
• c: 18.582 ± 0.006 Å
• α: 90°
• β: 103.989 ± 0.013°
• γ: 90°
• Cell volume: 3395 ± 1.6 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for all reflections included in the refinement: 0.0285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No