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Information card for entry 1555110
Preview
| Coordinates | 1555110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H20 O3 S |
|---|---|
| Calculated formula | C26 H20 O3 S |
| Title of publication | A formal [4 + 2] cycloaddition of sulfur-containing alkylidene heterocycles with allenic compounds |
| Authors of publication | Dočekal, Vojtěch; Formánek, Bedřich; Císařová, Ivana; Veselý, Jan |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 18 |
| Pages of publication | 3259 |
| a | 7.9759 ± 0.0004 Å |
| b | 16.1628 ± 0.0008 Å |
| c | 31.7213 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4089.3 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0854 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238326 (current) | 2019-11-24 | cif/ Adding structures of 1555110, 1555111 via cif-deposit CGI script. |
1555110.cif |
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Users of the data should acknowledge the original authors of the
structural data.