Information card for entry 2223514

Structure parameters

• Chemical name: Triphenylphosphine oxide‒2-(4-hydroxybenzenyl)-4,4,5,5-tetramethylimidazolidine-1-oxyl 3-oxide (1/1)
• Formula: C31 H32 N2 O4 P
• Calculated formula: C31 H32 N2 O4 P
• SMILES: P(=O)(c1ccccc1)(c1ccccc1)c1ccccc1.[N]1(=O)C(C)(C)C(N(=O)=C1c1ccc(O)cc1)(C)C
• Title of publication: Triphenylphosphine oxide‒2-(4-hydroxybenzenyl)-4,4,5,5-tetramethylimidazolidine-1-oxyl 3-oxide (1/1)
• Authors of publication: Jing, Lin-Lin; Wang, Hai-Bo; Sun, Xiao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2444
• a: 8.8431 ± 0.0011 Å
• b: 12.0786 ± 0.0015 Å
• c: 13.9649 ± 0.0016 Å
• α: 86.386 ± 0.002°
• β: 82.724 ± 0.002°
• γ: 77.318 ± 0.002°
• Cell volume: 1442.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes