Information card for entry 1511853

Structure parameters

• Common name: RUPCY
• Chemical name: dichlorobis(dicyclohexylphosphinomethylpyridine)-ruthenium(II)
• Formula: C36 H56 Cl2 N2 P2 Ru
• Calculated formula: C36 H56 Cl2 N2 P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([n]3c(cccc3)C[P]1(C1CCCCC1)C1CCCCC1)[n]1c(cccc1)C[P]2(C1CCCCC1)C1CCCCC1
• Title of publication: The Dual Role of Ruthenium and Alkali Base Catalysts in Enabling a Conceptually New Shortcut toN-Unsubstituted Pyrroles through Unmasked α-Amino Aldehydes
• Authors of publication: Iida, Kazuki; Miura, Takashi; Ando, Junki; Saito, Susumu
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 1436
• a: 11.3882 ± 0.0014 Å
• b: 12.763 ± 0.009 Å
• c: 13.2168 ± 0.0001 Å
• α: 86.38 ± 0.19°
• β: 79.81 ± 0.18°
• γ: 72.19 ± 0.16°
• Cell volume: 1800 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No