Information card for entry 4032641

Structure parameters

• Formula: C56 H98 N4 O4 Si4
• Calculated formula: C56 H98 N4 O4 Si4
• SMILES: c1c(ccc(c1)c1ccc(cc1)C1N(C(C(C)(C)N1O[Si](C)(C)C(C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C)c1ccc(cc1)C1N(O[Si](C)(C)C(C)(C)C)C(C(C)(C)N1O[Si](C)(C)C(C)(C)C)(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: 7.1802 ± 0.0005 Å
• b: 11.4369 ± 0.0008 Å
• c: 19.3529 ± 0.0016 Å
• α: 98.727 ± 0.006°
• β: 90.143 ± 0.006°
• γ: 104.044 ± 0.006°
• Cell volume: 1522.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No