Information card for entry 4072620

Structure parameters

• Chemical name: 1,2,2,5,5-Pentamethyl-4-phenylselenyl-2,5-dihydro-1H-imidazole-3-oxide
• Formula: C14 H20 N2 O Se
• Calculated formula: C14 H20 N2 O Se
• SMILES: [Se](C1=N(=O)C(N(C1(C)C)C)(C)C)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: 23.007 ± 0.002 Å
• b: 6.267 ± 0.0006 Å
• c: 10.0814 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1453.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No