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Information card for entry 4124478
Preview
| Coordinates | 4124478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H42 Cl2 |
|---|---|
| Calculated formula | C57 H42 Cl2 |
| Title of publication | Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes. |
| Authors of publication | Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 38 |
| Pages of publication | 12282 - 12288 |
| a | 14.73721 ± 0.00018 Å |
| b | 33.785 ± 0.0003 Å |
| c | 9.62683 ± 0.0001 Å |
| α | 90° |
| β | 106.588 ± 0.0012° |
| γ | 90° |
| Cell volume | 4593.69 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| 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 | 0.0676 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1574 |
| Weighted residual factors for all reflections included in the refinement | 0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4124478.cif |
| 160526 | 2015-10-06 | cif/ Updating files of 4124476, 4124477, 4124478 Original log message: Adding full bibliography for 4124476--4124478.cif. |
4124478.cif |
| 156358 | 2015-09-17 | cif/ Adding structures of 4124478 via cif-deposit CGI script. |
4124478.cif |
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Users of the data should acknowledge the original authors of the
structural data.