Information card for entry 1558388

Structure parameters

• Formula: C25 H39 N2 O3 P Ru
• Calculated formula: C25 H39 N2 O3 P Ru
• SMILES: [RuH]12([P](Cc3[n]1c(ccc3)C[NH]2Cc1ccccc1)(C(C)(C)C)C(C)(C)C)(OCCO)C#[O]
• Title of publication: Synthesis of oxalamides by acceptorless dehydrogenative coupling of ethylene glycol and amines and the reverse hydrogenation catalyzed by ruthenium
• Authors of publication: Zou, You-Quan; Zhou, Quan-Quan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 9.5765 ± 0.0002 Å
• b: 12.9092 ± 0.0003 Å
• c: 21.0501 ± 0.0005 Å
• α: 90°
• β: 100.084 ± 0.002°
• γ: 90°
• Cell volume: 2562.12 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No