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Information card for entry 4511814
Preview
| Coordinates | 4511814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H14 N2 |
|---|---|
| Calculated formula | C20 H14 N2 |
| Title of publication | Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes |
| Authors of publication | Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 4781 |
| a | 18.46 ± 0.007 Å |
| b | 4.0402 ± 0.0015 Å |
| c | 19.941 ± 0.007 Å |
| α | 90° |
| β | 91.544 ± 0.004° |
| γ | 90° |
| Cell volume | 1486.7 ± 0.9 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4511814.cif |
| 179665 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/18. |
4511814.cif |
| 122854 | 2014-09-06 | cif/ Updating files of 4511813, 4511814, 4511815 Original log message: Adding full bibliography for 4511813--4511815.cif. |
4511814.cif |
| 122362 | 2014-08-22 | cif/ Adding structures of 4511814 via cif-deposit CGI script. |
4511814.cif |
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Users of the data should acknowledge the original authors of the
structural data.