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Information card for entry 1513347
Preview
| Coordinates | 1513347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H33 N5 |
|---|---|
| Calculated formula | C48 H33 N5 |
| SMILES | c1(ccccc1)C1=NC2(C3(c4c(c5c2cccc5)c2ccccc2cc4)N=C(c2ccccc2)C(=N3)c2ccccc2)N=C1c1ccccc1.N#CC |
| 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 | 9.512 ± 0.006 Å |
| b | 11.533 ± 0.007 Å |
| c | 16.99 ± 0.01 Å |
| α | 96.062 ± 0.006° |
| β | 94.541 ± 0.006° |
| γ | 104.431 ± 0.006° |
| Cell volume | 1784.1 ± 1.9 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
1513347.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. |
1513347.cif |
| 104077 | 2014-03-10 | cif/ Adding structures of 1513347 via cif-deposit CGI script. |
1513347.cif |
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Users of the data should acknowledge the original authors of the
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