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Information card for entry 4504304
Preview
| Coordinates | 4504304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Trans-DPDSB |
|---|---|
| Chemical name | Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene |
| Formula | C34 H26 |
| Calculated formula | C34 H26 |
| SMILES | c1c(/C=C/c2ccccc2)c(c2ccccc2)cc(/C=C/c2ccccc2)c1c1ccccc1 |
| Title of publication | Crystal Structure of a Highly Luminescent Slice Crystal Grown in the Vapor Phase: A New Polymorph of 2,5-Diphenyl-1,4-distyrylbenzene |
| Authors of publication | Xie, Zengqi; Wang, Huan; Li, Feng; Xie, Weijie; Liu, Linlin; Yang, Bing; Ye, Ling; Ma, Yuguang |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 2512 |
| a | 6.6687 ± 0.0013 Å |
| b | 8.0335 ± 0.0016 Å |
| c | 11.706 ± 0.002 Å |
| α | 80.01 ± 0.03° |
| β | 83.27 ± 0.03° |
| γ | 83.93 ± 0.03° |
| Cell volume | 611 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0794 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4504304.cif |
| 179578 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/43. |
4504304.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504304.cif |
| 45039 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504304 via cif-deposit CGI script. |
4504304.cif |
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Users of the data should acknowledge the original authors of the
structural data.