Information card for entry 4028673

Structure parameters

• Formula: C28 H42 N O6 P
• Calculated formula: C28 H42 N O6 P
• SMILES: [C@H](COC(=O)c1ccccc1)(c1ccccc1)ON(C(C)(C)C)[C@@H](C(C)(C)C)P(=O)(OCC)OCC.[C@@H](COC(=O)c1ccccc1)(c1ccccc1)ON(C(C)(C)C)[C@H](C(C)(C)C)P(=O)(OCC)OCC
• Title of publication: Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis
• Authors of publication: Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 10524 - 10529
• a: 34.8838 ± 0.0004 Å
• b: 9.9827 ± 0.0002 Å
• c: 20.1591 ± 0.0003 Å
• α: 90°
• β: 121.084 ± 0.001°
• γ: 90°
• Cell volume: 6012.09 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No