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Information card for entry 1555445
Preview
| Coordinates | 1555445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 N5 O2 |
|---|---|
| Calculated formula | C24 H21 N5 O2 |
| SMILES | O=C(N1CCOCC1)c1ccc(n2nnc(n2)c2ccccc2)c(c1)c1ccccc1 |
| Title of publication | One-Pot Reactions for Synthesis of 2,5-Substituted Tetrazoles from Aryldiazonium Salts and Amidines. |
| Authors of publication | Ramanathan, Mani; Wang, Yu-Hao; Liu, Shiuh-Tzung |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 23 |
| Pages of publication | 5886 - 5889 |
| a | 8.7322 ± 0.0007 Å |
| b | 9.9954 ± 0.0007 Å |
| c | 12.0561 ± 0.001 Å |
| α | 78.166 ± 0.007° |
| β | 89.574 ± 0.007° |
| γ | 82.698 ± 0.006° |
| Cell volume | 1021.37 ± 0.14 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238688 (current) | 2019-11-24 | cif/ Adding structures of 1555445 via cif-deposit CGI script. |
1555445.cif |
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Users of the data should acknowledge the original authors of the
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