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Information card for entry 7061778
Preview
| Coordinates | 7061778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H32 N2 O3 Si2 |
|---|---|
| Calculated formula | C22 H32 N2 O3 Si2 |
| Title of publication | Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group |
| Authors of publication | Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 37 |
| Pages of publication | 18041 - 18047 |
| a | 6.123 ± 0.0012 Å |
| b | 11.555 ± 0.002 Å |
| c | 17.02 ± 0.003 Å |
| α | 90° |
| β | 100.03 ± 0.03° |
| γ | 90° |
| Cell volume | 1185.8 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.1119 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1572 |
| Weighted residual factors for all reflections included in the refinement | 0.1772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.745 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278445 (current) | 2022-10-07 | cif/ Updating files of 7061778, 7061779, 7061780, 7061781, 7061782, 7061783, 7061784, 7061785, 7061786 Original log message: Adding full bibliography for 7061778--7061786.cif. |
7061778.cif |
| 277608 | 2022-09-03 | cif/ Adding structures of 7061778, 7061779, 7061780, 7061781, 7061782, 7061783, 7061784, 7061785, 7061786 via cif-deposit CGI script. |
7061778.cif |
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Users of the data should acknowledge the original authors of the
structural data.