Information card for entry 2225634

Structure parameters

• Chemical name: 4,4',4''-(Methanetriyl)triphenyl tris(2,2,5,5-tetramethyl-1-oxyl-3-pyrroline-3-carboxylate) benzene trisolvate
• Formula: C64 H70 N3 O9
• Calculated formula: C61 H67 N3 O9
• Title of publication: 4,4',4''-(Methanetriyl)triphenyl tris(2,2,5,5-tetramethyl-1-oxyl-3-pyrroline-3-carboxylate) benzene trisolvate
• Authors of publication: Schuetz, Denise; Margraf, Dominik; Prisner, Thomas F.; Bats, Jan W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o729 - o730
• a: 10.081 ± 0.0013 Å
• b: 11.7372 ± 0.0016 Å
• c: 26.241 ± 0.004 Å
• α: 98.324 ± 0.01°
• β: 92.765 ± 0.011°
• γ: 105.308 ± 0.01°
• Cell volume: 2951 ± 0.7 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1536
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes