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Information card for entry 4025761
Preview
| Coordinates | 4025761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C26 H15 N5 |
|---|---|
| Calculated formula | C26 H15 N5 |
| SMILES | N(c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=C(C#N)C#N)C=C(C#N)C#N |
| Title of publication | Synthesis, Crystal Structures, and Photophysical Properties of Triphenylamine-Based Multicyano Derivatives |
| Authors of publication | Xianglin Tang; Weimin Liu; Jiasheng Wu; Chun-Sing Lee; Juanjuan You; Pengfei Wang |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 7273 - 7278 |
| a | 13.5051 ± 0.0004 Å |
| b | 13.3289 ± 0.0004 Å |
| c | 13.1464 ± 0.0004 Å |
| α | 90° |
| β | 113.55 ± 0.001° |
| γ | 90° |
| Cell volume | 2169.36 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0944 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.238 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4025761.cif |
| 201982 | 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. |
4025761.cif |
| 178436 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/57. |
4025761.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025761.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025761.cif |
| 11566 | 2011-02-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4025761 via cif-deposit CGI script. |
4025761.cif |
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Users of the data should acknowledge the original authors of the
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