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Information card for entry 4032638
Preview
Coordinates | 4032638.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2-(4-bromophenyl)-1,3-bis((tert-butyldimethylsilyl)oxy)-4,4,5,5- tetramethylimidazolidine |
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Formula | C25 H47 Br N2 O2 Si2 |
Calculated formula | C25 H47 Br N2 O2 Si2 |
SMILES | Brc1ccc(C2N(C(C(N2O[Si](C)(C)C(C)(C)C)(C)C)(C)C)O[Si](C)(C)C(C)(C)C)cc1 |
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 | 7.1928 ± 0.0003 Å |
b | 11.276 ± 0.0005 Å |
c | 19.2222 ± 0.0009 Å |
α | 92.856 ± 0.004° |
β | 94.94 ± 0.004° |
γ | 103.966 ± 0.004° |
Cell volume | 1503.3 ± 0.12 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0711 |
Weighted residual factors for all reflections included in the refinement | 0.078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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