Information card for entry 4071898

Structure parameters

• Formula: C20 H28 N2
• Calculated formula: C20 H28 N2
• SMILES: N([C@@H]([C@@H](N[C@@H](C)c1ccccc1)C)C)[C@@H](C)c1ccccc1
• Title of publication: Ruthenium-Based Complexes Bearing Saturated Chiral N-Heterocyclic Carbene Ligands: Dynamic Behavior and Catalysis
• Authors of publication: Grisi, Fabia; Costabile, Chiara; Gallo, Emanuela; Mariconda, Annaluisa; Tedesco, Consiglia; Longo, Pasquale
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4649
• a: 8.196 ± 0.008 Å
• b: 9.418 ± 0.01 Å
• c: 12.004 ± 0.007 Å
• α: 90°
• β: 93.13 ± 0.06°
• γ: 90°
• Cell volume: 925.2 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.702
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No