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Information card for entry 7245278
Preview
| Coordinates | 7245278.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 N2 O3 S |
|---|---|
| Calculated formula | C28 H30 N2 O3 S |
| Title of publication | From A3/KA2 to AYA/KYA Multicomponent Coupling Reactions with Terminal Ynamides as Alkyne Surrogates - A Direct, Green Route to γ-Amino-Ynamides |
| Authors of publication | SCHLIMPEN, Fabian; AST, Tun; Benneteau, Valerie; Pale, Patrick; Chassaing, Stefan |
| Journal of publication | Green Chemistry |
| Year of publication | 2022 |
| a | 10.6469 ± 0.0003 Å |
| b | 15.8266 ± 0.0004 Å |
| c | 28.9384 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4876.2 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0886 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277161 (current) | 2022-08-09 | cif/ Adding structures of 7245278 via cif-deposit CGI script. |
7245278.cif |
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Users of the data should acknowledge the original authors of the
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