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Information card for entry 7058767
Preview
Coordinates | 7058767.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H24 F I N4 O2 S |
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Calculated formula | C26 H24 F I N4 O2 S |
Title of publication | Highly N2-selective allylation of NH-1,2,3-triazoles with allenamides mediated by N-iodosuccinimide |
Authors of publication | Re He Man, Xi Jia Ai Ti; Liu, Yong Chun; Li, Xiao Xiao; Zhao, Zhi Gang |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
Journal volume | 43 |
Journal issue | 37 |
Pages of publication | 14739 |
a | 16.6016 ± 0.0004 Å |
b | 24.2609 ± 0.0006 Å |
c | 6.07906 ± 0.00011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2448.46 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 7 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0588 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1498 |
Weighted residual factors for all reflections included in the refinement | 0.1522 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
224700 (current) | 2019-11-08 | cif/ Updating files of 7058767 Original log message: Adding full bibliography for 7058767.cif. |
7058767.cif |
217606 | 2019-08-20 | cif/ Adding structures of 7058767 via cif-deposit CGI script. |
7058767.cif |
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Users of the data should acknowledge the original authors of the
structural data.