Information card for entry 4032635

Structure parameters

• Formula: C28 H32 N4 O4 S2
• Calculated formula: C28 H32 N4 O4 S2
• SMILES: c1c(ccc(c1)c1ccc(s1)C1=N(C(C(C)(C)[N]1=O)(C)C)=O)c1ccc(s1)C1=N(=O)C(C(C)(C)[N]1=O)(C)C
• 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: 10.9341 ± 0.0019 Å
• b: 11.8693 ± 0.0018 Å
• c: 11.054 ± 0.002 Å
• α: 90°
• β: 104.497 ± 0.007°
• γ: 90°
• Cell volume: 1388.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2103
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No