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Information card for entry 4519367
Preview
| Coordinates | 4519367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H40 O8 |
|---|---|
| Calculated formula | C44 H40 O8 |
| Title of publication | Scale-Dependent Photosalience and Topotactic Reaction of Microcrystalline Benzylidenebutyrolactone Determined by Electron Microscopy and Electron Diffraction |
| Authors of publication | Hipwell, Vince M.; Zee, Chih-Te; Rodriguez, Jose; Garcia-Garibay, Miguel A. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2022 |
| Journal volume | 22 |
| Journal issue | 3 |
| Pages of publication | 1533 - 1537 |
| a | 11.44 ± 0.002 Å |
| b | 5.98 ± 0.0012 Å |
| c | 12.43 ± 0.003 Å |
| α | 90° |
| β | 108.06 ± 0.02° |
| γ | 90° |
| Cell volume | 808.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1971 |
| Residual factor for significantly intense reflections | 0.1638 |
| Weighted residual factors for significantly intense reflections | 0.4169 |
| Weighted residual factors for all reflections included in the refinement | 0.4444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.752 |
| Diffraction radiation wavelength | 0.97918 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273274 (current) | 2022-03-03 | cif/ Adding structures of 4519367 via cif-deposit CGI script. |
4519367.cif |
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Users of the data should acknowledge the original authors of the
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