Information card for entry 2222792

Structure parameters

• Chemical name: Biphenyl-4,4'-diyl bis(2,2,5,5-tetramethyl-1-oxyl-3-pyrroline-3-carboxylate)
• Formula: C30 H34 N2 O6
• Calculated formula: C30 H34 N2 O6
• SMILES: O=C(C1=CC([N](C1(C)C)=O)(C)C)Oc1ccc(cc1)c1ccc(cc1)OC(C1=CC([N](C1(C)C)=O)(C)C)=O
• Title of publication: Biphenyl-4,4'-diyl bis(2,2,5,5-tetramethyl-1-oxyl-3-pyrroline-3-carboxylate)
• Authors of publication: Margraf, Dominik; Schuetz, Denise; Prisner, Thomas F.; Bats, Jan W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1784
• a: 6.931 ± 0.002 Å
• b: 9.461 ± 0.003 Å
• c: 20.805 ± 0.004 Å
• α: 90°
• β: 96.059 ± 0.014°
• γ: 90°
• Cell volume: 1356.6 ± 0.6 ų
• Cell temperature: 169 ± 2 K
• Ambient diffraction temperature: 169 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes