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Information card for entry 7157146
Preview
| Coordinates | 7157146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H32 N O3.5 S3 |
|---|---|
| Calculated formula | C26 H32 N O3.5 S3 |
| Title of publication | Synthesis and Photochromism of Some Mono and Bis(Thienyl) Substituted Oxathiine 2,2-dioxides |
| Authors of publication | Heron, Bernard Mark; Aiken, Stuart; Gabbutt, Christopher; Rice, Craig; Zonidis, Dimitrios |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2019 |
| a | 9.869 ± 0.005 Å |
| b | 11.897 ± 0.005 Å |
| c | 13.181 ± 0.005 Å |
| α | 113.322 ± 0.017° |
| β | 109.14 ± 0.02° |
| γ | 90.79 ± 0.02° |
| Cell volume | 1324.1 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0778 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1309 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219310 (current) | 2019-10-12 | cif/ Adding structures of 7157146 via cif-deposit CGI script. |
7157146.cif |
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