Information card for entry 4032636

Structure parameters

• Formula: C32 H36 N4 O4
• Calculated formula: C32 H36 N4 O4
• SMILES: c1c(ccc(c1)c1ccc(cc1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O)c1ccc(cc1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O
• Title of publication: Mixed Phenyl and Thiophene Oligomers for Bridging Nitronyl Nitroxides.
• Authors of publication: Kolanji, Kubandiran; Ravat, Prince; Bogomyakov, Artem S.; Ovcharenko, Victor I.; Schollmeyer, Dieter; Baumgarten, Martin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 11.5064 ± 0.0009 Å
• b: 9.9143 ± 0.001 Å
• c: 12.9226 ± 0.0012 Å
• α: 90°
• β: 112.061 ± 0.007°
• γ: 90°
• Cell volume: 1366.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2321
• Weighted residual factors for all reflections included in the refinement: 0.2959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No