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Information card for entry 7249636
Preview
| Coordinates | 7249636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H33 N O4 S |
|---|---|
| Calculated formula | C27 H33 N O4 S |
| Title of publication | Spectroscopic and photochemical evaluation of stereochemically biased 3′-substituted spiropyran photoswitches |
| Authors of publication | Boháček, Vojtěch; Erbenová, Tereza; Malina, Jakub Dávid; Kloubcová, Marie; Šmahel, Michal; Eigner, Václav; T°uma, Jiří |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 50 |
| Pages of publication | 37370 - 37379 |
| a | 8.0588 ± 0.0002 Å |
| b | 12.1638 ± 0.0003 Å |
| c | 25.1238 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2462.78 ± 0.1 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Ambient diffracton pressure | 101 kPa |
| Number of distinct elements | 5 |
| 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 | 0.0316 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for all reflections | 0.0829 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0829 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9793 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296057 (current) | 2024-11-22 | cif/ Adding structures of 7249636 via cif-deposit CGI script. |
7249636.cif |
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Users of the data should acknowledge the original authors of the
structural data.