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Information card for entry 7116065
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| Coordinates | 7116065.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (bpep)2(res)2 |
|---|---|
| Chemical name | 1,3-bis(trans-4-pyridylethenyl)pyridine resorcinol tetrahydrofuran solvate |
| Formula | C54 H50 N6 O5 |
| Calculated formula | C54 H50 N6 O5 |
| Title of publication | In situ Raman monitoring of [2+2] cycloaddition of pyridine substituted olefins induced by visible laser |
| Authors of publication | Dengtai Chen; Xijiang Han; Wen Jin; Yunchen Du; Ping Xu |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 15631 |
| a | 13.274 ± 0.005 Å |
| b | 13.86 ± 0.005 Å |
| c | 15.867 ± 0.006 Å |
| α | 66.711 ± 0.003° |
| β | 69.574 ± 0.004° |
| γ | 66.077 ± 0.003° |
| Cell volume | 2388.3 ± 1.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1743 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1646 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116065.cif |
| 180274 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60. |
7116065.cif |
| 128997 | 2014-12-22 | cif/ Adding structures of 7116065, 7116066 via cif-deposit CGI script. |
7116065.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.