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Information card for entry 1556252
Preview
Coordinates | 1556252.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H17 N5 O2 |
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Calculated formula | C19 H17 N5 O2 |
SMILES | O(C(=O)/C(=N/Nc1cccnc1c1ncccc1)c1ncccc1)CC |
Title of publication | Zinc(II)-regulation of hydrazone switch isomerization kinetics. |
Authors of publication | Su, Xin; Aprahamian, Ivan |
Journal of publication | Organic letters |
Year of publication | 2013 |
Journal volume | 15 |
Journal issue | 23 |
Pages of publication | 5952 - 5955 |
a | 16.8981 ± 0.0004 Å |
b | 16.8981 ± 0.0004 Å |
c | 11.9461 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3411.16 ± 0.14 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 4 |
Space group number | 78 |
Hermann-Mauguin space group symbol | P 43 |
Hall space group symbol | P 4cw |
Residual factor for all reflections | 0.1432 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.11 |
Weighted residual factors for all reflections included in the refinement | 0.1464 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
243598 (current) | 2019-11-26 | cif/ Adding structures of 1556252 via cif-deposit CGI script. |
1556252.cif |
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