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Information card for entry 4111021
Preview
| Coordinates | 4111021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C31 H28 O5 |
|---|---|
| Calculated formula | C31 H28 O5 |
| SMILES | OC(c1c(OC)cc2cccc(OC)c2c1)(c1cc2c(OC)cccc2cc1OC)c1ccccc1 |
| Title of publication | An Organic White Light-Emitting Fluorophore |
| Authors of publication | Youjun Yang; Mark Lowry; Corin M. Schowalter; Sayo O. Fakayode; Jorge O. Escobedo; Xiangyang Xu; Huating Zhang; Timothy J. Jensen; Frank R. Fronczek; Isiah M. Warner; Robert M. Strongin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 14081 - 14092 |
| a | 7.675 ± 0.004 Å |
| b | 12.605 ± 0.007 Å |
| c | 12.914 ± 0.008 Å |
| α | 86.49 ± 0.02° |
| β | 81.01 ± 0.02° |
| γ | 83.69 ± 0.03° |
| Cell volume | 1225.3 ± 1.2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.19 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4111021.cif |
| 178881 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10. |
4111021.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111021.cif |
| 60544 | 2012-06-15 | cif/ Adding structures of 4111021 via cif-deposit CGI script. |
4111021.cif |
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Users of the data should acknowledge the original authors of the
structural data.