Information card for entry 4032639

Structure parameters

• Chemical name: 1,3-bis((tert-butyldimethylsilyl)oxy)-4,4,5,5-tetramethyl-2-(4-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)imidazolidine
• Formula: C31 H59 B N2 O4 Si2
• Calculated formula: C31 H59 B N2 O4 Si2
• SMILES: c1(ccc(cc1)B1OC(C(O1)(C)C)(C)C)C1N(C(C(N1O[Si](C)(C)C(C)(C)C)(C)C)(C)C)O[Si](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: 14.8434 ± 0.0004 Å
• b: 20.1222 ± 0.0007 Å
• c: 12.9937 ± 0.0004 Å
• α: 90°
• β: 111.258 ± 0.002°
• γ: 90°
• Cell volume: 3616.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No