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Information card for entry 7242292
Preview
| Coordinates | 7242292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H17 F3 N4 O4 |
|---|---|
| Calculated formula | C18 H17 F3 N4 O4 |
| SMILES | FC(F)(F)C(=O)[O-].O=C(OCn1nnc2c1cccc2)C([NH3+])Cc1ccccc1 |
| Title of publication | Novel synthesis of benzotriazolyl alkyl esters: an unprecedented CH2 insertion |
| Authors of publication | Elagawany, Mohamed; Maram, Lingaiah; Elgendy, Bahaa |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 13 |
| Pages of publication | 7564 - 7569 |
| a | 16.983 ± 0.003 Å |
| b | 5.7953 ± 0.0009 Å |
| c | 19.334 ± 0.003 Å |
| α | 90° |
| β | 111.694 ± 0.011° |
| γ | 90° |
| Cell volume | 1768.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1562 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1408 |
| Weighted residual factors for all reflections included in the refinement | 0.1787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262052 (current) | 2021-02-18 | cif/ Adding structures of 7242292 via cif-deposit CGI script. |
7242292.cif |
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Users of the data should acknowledge the original authors of the
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