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Information card for entry 7207686
Preview
| Coordinates | 7207686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H34 N4 O2 |
|---|---|
| Calculated formula | C52 H34 N4 O2 |
| SMILES | O1C(=NC(=N\C(=O)c2ccccc2)/c2ccc(cc2)c2c3c(c4ccc(C5=NC1(c1ccccc1)C(=N5)c1ccccc1)cc4)cccc3ccc2)c1ccccc1 |
| Title of publication | A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer. |
| Authors of publication | Hatano, Sayaka; Abe, Jiro |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 16 |
| Pages of publication | 5855 - 5860 |
| a | 10.462 ± 0.009 Å |
| b | 10.806 ± 0.009 Å |
| c | 17.637 ± 0.015 Å |
| α | 86.158 ± 0.011° |
| β | 74.173 ± 0.013° |
| γ | 73.868 ± 0.012° |
| Cell volume | 1843 ± 3 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1479 |
| Residual factor for significantly intense reflections | 0.0917 |
| Weighted residual factors for significantly intense reflections | 0.2496 |
| Weighted residual factors for all reflections included in the refinement | 0.274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207686.cif |
| 180407 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/76. |
7207686.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207686.cif |
| 52067 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207685, 7207686 via cif-deposit CGI script. |
7207686.cif |
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