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Information card for entry 7238920
Preview
| Coordinates | 7238920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H11 N5 O5 S |
|---|---|
| Calculated formula | C14 H11 N5 O5 S |
| Title of publication | Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide ‒NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors |
| Authors of publication | Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 18 |
| Pages of publication | 6596 |
| a | 12.0296 ± 0.0013 Å |
| b | 10.7993 ± 0.001 Å |
| c | 15.4635 ± 0.0016 Å |
| α | 90° |
| β | 129.493 ± 0.006° |
| γ | 90° |
| Cell volume | 1550.3 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1293 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244463 (current) | 2019-11-28 | cif/ Adding structures of 7238920, 7238921, 7238922, 7238923 via cif-deposit CGI script. |
7238920.cif |
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Users of the data should acknowledge the original authors of the
structural data.