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Information card for entry 1574119
Preview
Coordinates | 1574119.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H17 Cl N4 O |
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Calculated formula | C16 H17 Cl N4 O |
SMILES | Clc1ccc(N(=O)=NN2CCN(CC2)c2ccccc2)cc1 |
Title of publication | Nitrene-mediated aminative N–N–N coupling: facile access to triazene 1-oxides |
Authors of publication | Zhu, Shiyang; Zhang, Hairuo; Sun, Boyang; Bai, Ziqian; He, Gang; Chen, Gong; Wang, Hao |
Journal of publication | Chemical Science |
Year of publication | 2025 |
Journal volume | 16 |
Journal issue | 15 |
Pages of publication | 6458 - 6467 |
a | 7.506 ± 0.0002 Å |
b | 11.5648 ± 0.0002 Å |
c | 34.8112 ± 0.0005 Å |
α | 90° |
β | 90.678 ± 0.002° |
γ | 90° |
Cell volume | 3021.59 ± 0.11 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0442 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
300631 (current) | 2025-07-06 | cif/ Updating files of 1574119 Original log message: Adding full bibliography for 1574119.cif. |
1574119.cif |
298362 | 2025-03-11 | cif/ Adding structures of 1574119 via cif-deposit CGI script. |
1574119.cif |
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