Information card for entry 7111379

Structure parameters

• Formula: C71 H59 N7 O3 Ru
• Calculated formula: C71 H59 N7 O3 Ru
• SMILES: [Ru]123(Oc4c(C=[N]2[C@H]2[C@H]([N]3=Cc3cc5ccccc5c(c3O1)c1c(ccc3ccccc13)c1ccccc1)CCCC2)cc1ccccc1c4c1c(ccc2ccccc12)c1ccccc1)([N]#CC)C#[O].N#CC.N#CC.N#CC.N#CC
• Title of publication: Design of a robust Ru(salen) complex: aziridination with improved turnover number using N-arylsulfonyl azides as precursorsElectronic supplementary information (ESI) available: typical experimental procedures, determination of enantiomeric excess and elementary analysis for complexes 3 and 5. See http://www.rsc.org/suppdata/cc/b4/b407693a/
• Authors of publication: Omura, Kazufumi; Uchida, Tatsuya; Irie, Ryo; Katsuki, Tsutomu
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 18
• Pages of publication: 2060 - 2061
• a: 13.5262 ± 0.0003 Å
• b: 19.7791 ± 0.0005 Å
• c: 21.9184 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5864 ± 0.3 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No