Information card for entry 4072617

Structure parameters

• Chemical name: 2,2-Dimethyl-4-phenyl-5-phenylselenyl-2H-imidazole-1-oxide
• Formula: C17 H16 N2 O Se
• Calculated formula: C17 H16 N2 O Se
• SMILES: [Se](C1=N(=O)C(N=C1c1ccccc1)(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: 5.5666 ± 0.0005 Å
• b: 9.0518 ± 0.0007 Å
• c: 61.911 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3119.6 ± 0.5 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: 0.0458
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No