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Information card for entry 7055102
Preview
Coordinates | 7055102.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H23 N3 O |
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Calculated formula | C27 H23 N3 O |
SMILES | O1N(C(N=C1N(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C |
Title of publication | Zinc(ii)-mediated generation of 5-amino substituted 2,3-dihydro-1,2,4-oxadiazoles and their further ZnII-catalyzed and O2-involving transformations |
Authors of publication | Smirnov, Andrey S.; Yandanova, Ekaterina S.; Bokach, Nadezhda A.; Starova, Galina L.; Gurzhiy, Vladislav V.; Avdontceva, Margarita S.; Zolotarev, Andrey A.; Kukushkin, Vadim Yu. |
Journal of publication | New J. Chem. |
Year of publication | 2015 |
Journal volume | 39 |
Journal issue | 12 |
Pages of publication | 9330 |
a | 22.9818 ± 0.0013 Å |
b | 8.6205 ± 0.0003 Å |
c | 23.3388 ± 0.001 Å |
α | 90° |
β | 114.188 ± 0.006° |
γ | 90° |
Cell volume | 4217.8 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1129 |
Residual factor for significantly intense reflections | 0.0912 |
Weighted residual factors for significantly intense reflections | 0.215 |
Weighted residual factors for all reflections included in the refinement | 0.226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7055102.html
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