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Information card for entry 4516270
Preview
| Coordinates | 4516270.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H19 N4 O3 |
|---|---|
| Calculated formula | C15 H19 N4 O3 |
| Title of publication | Layered 2D Sheetlike Supramolecular Polymers Formed by O–H···Anion Hydrogen Bonds |
| Authors of publication | White, Nicholas G.; Carta, Veronica; MacLachlan, Mark J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1540 |
| a | 7.283 ± 0.004 Å |
| b | 9.504 ± 0.004 Å |
| c | 10.849 ± 0.005 Å |
| α | 73.032 ± 0.01° |
| β | 83.365 ± 0.011° |
| γ | 86.632 ± 0.01° |
| Cell volume | 713.2 ± 0.6 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for all reflections | 0.1022 |
| Weighted residual factors for significantly intense reflections | 0.0912 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9534 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516270.cif |
| 231217 | 2019-11-22 | cif/ Adding structures of 4516263, 4516264, 4516265, 4516266, 4516267, 4516268, 4516269, 4516270 via cif-deposit CGI script. |
4516270.cif |
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Users of the data should acknowledge the original authors of the
structural data.