Information card for entry 4072621

Structure parameters

• Chemical name: 5-Diphenylphosphanyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-pyrrole 1-oxide
• Formula: C20 H24 N O P
• Calculated formula: C20 H24 N O P
• SMILES: P(C1=N(=O)C(CC1(C)C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: α-Organoelement Nitrones: Synthesis, Properties, and IR and13C NMR Spectral and X-ray Structural Characterization†
• Authors of publication: Voinov, Maxim A.; Shevelev, Tikhon G.; Rybalova, Tatyana V.; Gatilov, Yury V.; Pervukhina, Natalie V.; Burdukov, Aleksei B.; Grigor'ev, Igor A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1607
• a: 6.0014 ± 0.0006 Å
• b: 12.5451 ± 0.0013 Å
• c: 23.887 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1798.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No