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Information card for entry 4111023
Preview
| Coordinates | 4111023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C32 H26 O6 |
|---|---|
| Calculated formula | C32 H26 O6 |
| SMILES | O1C(c2c(OC)cc3cccc(OC)c3c2)(c2c(OC)cc3cccc(OC)c3c2)c2ccccc2C1=O |
| 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 | 7.859 ± 0.006 Å |
| b | 11.146 ± 0.007 Å |
| c | 14.964 ± 0.015 Å |
| α | 81.92 ± 0.03° |
| β | 85.92 ± 0.03° |
| γ | 72.84 ± 0.05° |
| Cell volume | 1239.4 ± 1.8 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 | 0.36 |
| Residual factor for significantly intense reflections | 0.12 |
| Weighted residual factors for significantly intense reflections | 0.265 |
| Weighted residual factors for all reflections included in the refinement | 0.377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
| 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. |
4111023.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. |
4111023.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111023.cif |
| 60546 | 2012-06-15 | cif/ Adding structures of 4111023 via cif-deposit CGI script. |
4111023.cif |
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Users of the data should acknowledge the original authors of the
structural data.