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Information card for entry 7230960
Preview
| Coordinates | 7230960.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H9 Cl N4 O3 |
|---|---|
| Calculated formula | C9 H9 Cl N4 O3 |
| Title of publication | Imido-substituted triazines as dehydrative condensing reagents for the chemoselective formation of amides in the presence of free hydroxy groups |
| Authors of publication | Kitamura, Masanori; Sasaki, Suguru; Nishikawa, Riho; Yamada, Kohei; Kunishima, Munetaka |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 40 |
| Pages of publication | 22482 |
| a | 7.3141 ± 0.0009 Å |
| b | 15.403 ± 0.0017 Å |
| c | 10.0589 ± 0.001 Å |
| α | 90° |
| β | 107.288 ± 0.008° |
| γ | 90° |
| Cell volume | 1082 ± 0.2 Å3 |
| Cell temperature | 143 K |
| Ambient diffraction temperature | 143 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208563 (current) | 2018-06-20 | cif/ Adding structures of 7230960 via cif-deposit CGI script. |
7230960.cif |
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Users of the data should acknowledge the original authors of the
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