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Information card for entry 1516606
Preview
| Coordinates | 1516606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H24 |
|---|---|
| Calculated formula | C30 H24 |
| SMILES | c1ccc(cc1)C(=C\c1ccccc1)/C=C/C(=C/c1ccccc1)c1ccccc1 |
| Title of publication | Practical and Convenient Synthesis of 1,6-Di- or 1,2,5,6-Tetra-arylhexa-1,3,5-trienes by the Dimerization of Pd(0)-Complexed Alkenylcarbenes Generated from π-Allylpalladium Intermediates. |
| Authors of publication | Horino, Yoshikazu; Takahashi, Yu; Koketsu, Kaori; Abe, Hitoshi; Tsuge, Kiyoshi |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 12 |
| Pages of publication | 3184 - 3187 |
| a | 10.58564 ± 0.00019 Å |
| b | 6.27352 ± 0.00011 Å |
| c | 16.626 ± 0.0003 Å |
| α | 90° |
| β | 95.2712 ± 0.001° |
| γ | 90° |
| Cell volume | 1099.45 ± 0.03 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516606.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. |
1516606.cif |
| 119290 | 2014-07-05 | cif/ Updating files of 1516606 Original log message: Adding full bibliography for 1516606.cif. |
1516606.cif |
| 116482 | 2014-06-13 | cif/ Adding structures of 1516606 via cif-deposit CGI script. |
1516606.cif |
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