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Information card for entry 1506438
Preview
| Coordinates | 1506438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C41 H46 Br2 O3 |
|---|---|
| Calculated formula | C41 H46 Br2 O3 |
| SMILES | Brc1cc2C3(c4c(c2cc1)ccc(Br)c4)c1ccc(OCCCCCCCC)cc1Oc1cc(OCCCCCCCC)ccc31 |
| Title of publication | Stable Organic Blue-Light-Emitting Devices Prepared from Poly[spiro(fluorene-9,9‘-xanthene)] |
| Authors of publication | Tseng, Ya-Hsien; Shih, Ping-I; Chien, Chen-Han; Dixit, Ajay Kumar; Shu, Ching-Fong; Liu, Yi-Hung; Lee, Gene-Hsiang |
| Journal of publication | Macromolecules |
| Year of publication | 2005 |
| Journal volume | 38 |
| Journal issue | 24 |
| Pages of publication | 10055 |
| a | 8.3399 ± 0.0004 Å |
| b | 10.5004 ± 0.0005 Å |
| c | 20.9724 ± 0.0009 Å |
| α | 86.567 ± 0.001° |
| β | 83.373 ± 0.001° |
| γ | 74.01 ± 0.001° |
| Cell volume | 1752.99 ± 0.14 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506438.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506438.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506438.cif |
| 50319 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506438 via cif-deposit CGI script. |
1506438.cif |
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Users of the data should acknowledge the original authors of the
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