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Information card for entry 7231774
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| Coordinates | 7231774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-Amino-4-(2-methoxyphenyl)-4H-pyrano[3,2-c][1,2]benzoxathiine-3-carbonitrile 5,5-dioxide |
|---|---|
| Formula | C19 H14 N2 O5 S |
| Calculated formula | C19 H14 N2 O5 S |
| Title of publication | 1,2-Benzoxathiin-4(3H)-one 2,2-dioxide ‒ new enol nucleophile in three-component interaction with benzaldehydes and active methylene nitriles |
| Authors of publication | Grygoriv, Galyna V.; Lega, Dmitry A.; Chernykh, Valentin P.; Zaprutko, Lucjusz; Gzella, Andrzej K.; Pawełczyk, Anna; Shemchuk, Leonid A. |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 65 |
| Pages of publication | 37295 |
| a | 8.4151 ± 0.0003 Å |
| b | 11.8166 ± 0.0005 Å |
| c | 17.6708 ± 0.0008 Å |
| α | 90° |
| β | 103.635 ± 0.005° |
| γ | 90° |
| Cell volume | 1707.63 ± 0.13 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 0.1 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211827 (current) | 2018-11-07 | cif/ Adding structures of 7231773, 7231774 via cif-deposit CGI script. |
7231774.cif |
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Users of the data should acknowledge the original authors of the
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