Information card for entry 4028669

Structure parameters

• Formula: C23 H40 N O6 P
• Calculated formula: C23 H40 N O6 P
• SMILES: [C@H](c1ccccc1)(COC(=O)C)ON([C@@H](C(C)(C)C)P(=O)(OCC)OCC)C(C)(C)C.[C@@H](c1ccccc1)(COC(=O)C)ON([C@H](C(C)(C)C)P(=O)(OCC)OCC)C(C)(C)C
• 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: 8.5111 ± 0.0002 Å
• b: 11.5511 ± 0.0003 Å
• c: 14.0074 ± 0.0004 Å
• α: 90.043 ± 0.0008°
• β: 97.5179 ± 0.0009°
• γ: 103.211 ± 0.002°
• Cell volume: 1328.46 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0883
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No