Information card for entry 7014062

Structure parameters

• Formula: C23 H30 Cl N O2 Ru
• Calculated formula: C23 H30 Cl N O2 Ru
• SMILES: [Ru]123456(Cl)(Oc7ccccc7C7OC[C@@H]([N]1=7)C(C)(C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.
• Authors of publication: Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1481 - 1492
• a: 6.666 ± 0.001 Å
• b: 17.697 ± 0.005 Å
• c: 18.595 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2193.6 ± 1.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No