Information card for entry 7119988

Structure parameters

• Formula: C46 H62 N5 O5 Rh
• Calculated formula: C46 H62 N5 O5 Rh
• SMILES: [Rh]123(Oc4c([N]2=CC(=CN3c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)N(=O)=O)cc(cc4C(C)(C)C)C(C)(C)C)([NH2]c1ccccc1)[NH2]c1ccccc1.O=C(C)C
• Title of publication: Catalytic C-H amination driven by intramolecular ligand-to-nitrene one-electron transfer through a rhodium(iii) centre.
• Authors of publication: Fujita, Daiki; Sugimoto, Hideki; Shiota, Yoshihito; Morimoto, Yuma; Yoshizawa, Kazunari; Itoh, Shinobu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 35
• Pages of publication: 4849 - 4852
• a: 12.1457 ± 0.0006 Å
• b: 18.9914 ± 0.001 Å
• c: 19.1816 ± 0.001 Å
• α: 90°
• β: 94.029 ± 0.0012°
• γ: 90°
• Cell volume: 4413.6 ± 0.4 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No