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Information card for entry 7209624
Preview
| Coordinates | 7209624.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H18 N2 O8 |
|---|---|
| Calculated formula | C20 H18 N2 O8 |
| SMILES | C(=C\c1cccc[nH+]1)/c1cccc[nH+]1.C(=O)(/C=C/C(=O)[O-])[O-].C(=O)(O)/C=C/C(=O)O |
| Title of publication | Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance |
| Authors of publication | Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 15 |
| Pages of publication | 2795 |
| a | 3.88 ± 0.003 Å |
| b | 10.058 ± 0.006 Å |
| c | 12.438 ± 0.009 Å |
| α | 76.64 ± 0.03° |
| β | 88.3 ± 0.04° |
| γ | 82.26 ± 0.04° |
| Cell volume | 468 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0715 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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. |
7209624.cif |
| 180427 | 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 7/20/96. |
7209624.cif |
| 86058 | 2013-05-09 | cif/ Adding structures of 7209623, 7209624 via cif-deposit CGI script. |
7209624.cif |
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Users of the data should acknowledge the original authors of the
structural data.