Information card for entry 4036148

Structure parameters

• Formula: C86 H84 N8 O16 Rh2
• Calculated formula: C86 H84 N8 O16 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O1)[C@H](C(C)(C)C)N1C(=O)c5cccc6cccc(C1=O)c56)(OC(=[O]2)[C@@H](N1C(=O)c2cccc5cccc(C1=O)c25)C(C)(C)C)([O]=C(O3)[C@@H](N1C(=O)c2cccc3cccc(C1=O)c23)C(C)(C)C)(OC(=[O]4)[C@@H](N1C(=O)c2cccc3cccc(C1=O)c23)C(C)(C)C)[n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1
• Title of publication: Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.
• Authors of publication: Lebel, Hélène; Piras, Henri
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 7
• Pages of publication: 3572 - 3585
• a: 17.4936 ± 0.0003 Å
• b: 22.4947 ± 0.0003 Å
• c: 23.0451 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9068.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No