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Information card for entry 4109538
Preview
| Coordinates | 4109538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C55 H44 N2 O4 |
|---|---|
| Calculated formula | C55 H44 N2 O4 |
| SMILES | O(C)c1ccc(N(c2ccc(OC)cc2)c2ccc3C=Cc4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc4C4(c3c2)c2ccccc2c2ccccc42)cc1 |
| Title of publication | Doubly Ortho-Linked cis-4,4'-Bis(diarylamino)stilbene/Fluorene Hybrids as Efficient Nondoped, Sky-Blue Fluorescent Materials for Optoelectronic Applications |
| Authors of publication | Yi Wei; Chien-Tien Chen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 7478 - 7479 |
| a | 9.8347 ± 0.0002 Å |
| b | 17.9417 ± 0.0005 Å |
| c | 23.5508 ± 0.0007 Å |
| α | 87.965 ± 0.001° |
| β | 84.739 ± 0.001° |
| γ | 89.151 ± 0.001° |
| Cell volume | 4135.17 ± 0.19 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.2361 |
| Residual factor for significantly intense reflections | 0.0816 |
| Weighted residual factors for significantly intense reflections | 0.1725 |
| Weighted residual factors for all reflections included in the refinement | 0.2469 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109538.cif |
| 178841 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/95. |
4109538.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109538.cif |
| 58315 | 2012-05-28 | cif/ Adding structures of 4109538 via cif-deposit CGI script. |
4109538.cif |
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Users of the data should acknowledge the original authors of the
structural data.