Information card for entry 4036572

Structure parameters

• Formula: C21 H38 N O5 P
• Calculated formula: C21 H38 N O5 P
• SMILES: P(=O)(OCC)(OCC)[C@H](N(O[C@H](c1ccccc1)C)C(CO)(C)C)C(C)(C)C.P(=O)(OCC)(OCC)[C@@H](N(O[C@@H](c1ccccc1)C)C(CO)(C)C)C(C)(C)C
• Title of publication: C-ON Bond Homolysis of Alkoxyamines, Part 11: Activation of the Nitroxyl Fragment.
• Authors of publication: Audran, Gérard; Brémond, Paul; Marque, Sylvain R. A.; Yamasaki, Toshihide
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 1981 - 1988
• a: 14.2019 ± 0.001 Å
• b: 12.1086 ± 0.0007 Å
• c: 14.2955 ± 0.0008 Å
• α: 90°
• β: 102.371 ± 0.006°
• γ: 90°
• Cell volume: 2401.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1148
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No