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Information card for entry 1556779
Preview
| Coordinates | 1556779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H18 N4 O2 |
|---|---|
| Calculated formula | C18 H18 N4 O2 |
| SMILES | O=C(/C=C/c1ccncc1)NCCNC(=O)/C=C/c1ccncc1 |
| Title of publication | Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. |
| Authors of publication | Garai, Mousumi; Biradha, Kumar |
| Journal of publication | IUCrJ |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | Pt 5 |
| Pages of publication | 523 - 533 |
| a | 4.7967 ± 0.0015 Å |
| b | 11.547 ± 0.004 Å |
| c | 14.726 ± 0.005 Å |
| α | 90° |
| β | 96.451 ± 0.01° |
| γ | 90° |
| Cell volume | 810.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.223 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1131 |
| Weighted residual factors for all reflections included in the refinement | 0.1403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.897 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556779.cif |
| 246056 | 2019-12-26 | cif/ Adding structures of 1556771, 1556772, 1556773, 1556774, 1556775, 1556776, 1556777, 1556778, 1556779, 1556780, 1556781 via cif-deposit CGI script. |
1556779.cif |
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Users of the data should acknowledge the original authors of the
structural data.