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Information card for entry 1513349
Preview
| Coordinates | 1513349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H30 N4 |
|---|---|
| Calculated formula | C46 H30 N4 |
| SMILES | c12c3c(ccc4c3cccc4)C3(N=C(C(=N3)c3ccccc3)c3ccccc3)n3c(c(c4ccccc4)nc3c1cccc2)c1ccccc1 |
| Title of publication | Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers. |
| Authors of publication | Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2013 |
| Journal volume | 118 |
| Journal issue | 1 |
| Pages of publication | 134 |
| a | 9.72 ± 0.004 Å |
| b | 11.606 ± 0.005 Å |
| c | 15.241 ± 0.006 Å |
| α | 82.64 ± 0.005° |
| β | 87.985 ± 0.005° |
| γ | 75.216 ± 0.005° |
| Cell volume | 1648.7 ± 1.2 Å3 |
| Cell temperature | 183 K |
| Ambient diffraction temperature | 183 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.1239 |
| Weighted residual factors for all reflections included in the refinement | 0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1513349.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. |
1513349.cif |
| 104079 | 2014-03-10 | cif/ Adding structures of 1513349 via cif-deposit CGI script. |
1513349.cif |
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Users of the data should acknowledge the original authors of the
structural data.