Information card for entry 1520263

Structure parameters

• Common name: Rhodium complex
• Chemical name: 12a
• Formula: C16 H18 N4 O2 S
• Calculated formula: C16 H18 N4 O2 S
• SMILES: S(=O)(=O)(N[C@@H]([C@H](N=N#N)c1ccccc1)C)c1ccc(cc1)C
• Title of publication: Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones
• Authors of publication: Deshpande, Sudhindra H.; Shende, Vaishali S.; Shingote, Savita K.; Chakravarty, Debamitra; Puranik, Vedavati G.; Chaudhari, Raghunath V.; Kelkar, Ashutosh A.
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 64
• Pages of publication: 51722 - 51729
• a: 8.2251 ± 0.0001 Å
• b: 10.3695 ± 0.0001 Å
• c: 9.9358 ± 0.0001 Å
• α: 90°
• β: 94.251 ± 0.0007°
• γ: 90°
• Cell volume: 845.095 ± 0.016 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No