Information card for entry 7014061

Structure parameters

• Formula: C21 H26 Cl N O2 Ru
• Calculated formula: C21 H26 Cl N O2 Ru
• SMILES: [Ru]123456([N]7[C@@H](C(C)C)COC=7c7ccccc7O1)(Cl)[c]1([cH]6[c]5([cH]4[c]3([cH]21)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: 12.272 ± 0.003 Å
• b: 12.272 ± 0.003 Å
• c: 27.26 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4105 ± 2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No