Information card for entry 7226441

Structure parameters

• Formula: C17 H29 N2 O5 P
• Calculated formula: C17 H29 N2 O5 P
• SMILES: P(=O)(OC(C)C)(OC(C)C)N(NC(=O)OC(C)(C)C)c1ccccc1
• Title of publication: Cu(II)-catalyzed cross-dehydrogenative coupling reaction of N’-acyl arylhydrazines and phosphites
• Authors of publication: Zhang, Ji-Quan; Xiong, Yan-Shi; Chan, Albert S. C.; Lu, Gui
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.7307 ± 0.0006 Å
• b: 10.8147 ± 0.0005 Å
• c: 11.1682 ± 0.0008 Å
• α: 68.269 ± 0.005°
• β: 72.364 ± 0.006°
• γ: 69.847 ± 0.005°
• Cell volume: 1003.97 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No