Information card for entry 7203850

Structure parameters

• Formula: C11 H22 N O4 P
• Calculated formula: C11 H22 N O4 P
• SMILES: P(=O)(OC(C)C)(OC(C)C)C1(N(=O)=CCC1)C
• Title of publication: 5-Diisopropoxyphosphoryl-5-methyl-1-pyrroline N-oxide, DIPPMPO, a crystalline analog of the nitrone DEPMPO: synthesis and spin trapping propertiesElectronic supplementary information (ESI) available: Tables of crystallographic data. See http://www.rsc.org/suppdata/p2/b2/b206909c/
• Authors of publication: Chalier, Florence; Tordo, Paul
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2110
• a: 14.4667 ± 0.0004 Å
• b: 8.2687 ± 0.0003 Å
• c: 12.4192 ± 0.0005 Å
• α: 90°
• β: 91.225 ± 0.002°
• γ: 90°
• Cell volume: 1485.26 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 253 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No