Information card for entry 7106208

Structure parameters

• Formula: C20 H37 N2 O4 P
• Calculated formula: C20 H37 N2 O4 P
• SMILES: [C@H](C(C)(C)C)(N(C(C)(C)C)O[C@H](c1ccncc1)C)P(=O)(OCC)OCC.[C@@H](C(C)(C)C)(N(C(C)(C)C)O[C@@H](c1ccncc1)C)P(=O)(OCC)OCC
• Title of publication: First proton triggered C–ON bond homolysis in alkoxyamines
• Authors of publication: Paul Bremond; Sylvain Marque
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4291
• a: 13.3707 ± 0.0002 Å
• b: 9.7253 ± 0.0002 Å
• c: 18.8006 ± 0.0004 Å
• α: 90°
• β: 110.186 ± 0.001°
• γ: 90°
• Cell volume: 2294.56 ± 0.08 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: 0.0843
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No