Information card for entry 2019320

Structure parameters

• Common name: Azobis(4-benzoyloxy-2,2,6,6-tetramethylpiperidinyloxidanyl)
• Chemical name: 4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl)
• Formula: C32 H42 N4 O6
• Calculated formula: C32 H42 N4 O6
• SMILES: O=C(c1ccc(cc1)N=Nc1ccc(cc1)C(OC1CC(C)(C)[N](C(C1)(C)C)=O)=O)OC1CC(C)(C)[N](C(C1)(C)C)=O
• Title of publication: 4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl): the first crystal structure determination from powder data of a nitroxide radical
• Authors of publication: Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1513 - 1515
• a: 19.3355 ± 0.0005 Å
• b: 5.9277 ± 0.0002 Å
• c: 14.5264 ± 0.0004 Å
• α: 90°
• β: 109.222 ± 0.001°
• γ: 90°
• Cell volume: 1572.12 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.153
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No