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Information card for entry 7225852
Preview
| Coordinates | 7225852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H18 N4 O4 |
|---|---|
| Calculated formula | C10 H18 N4 O4 |
| Title of publication | Anion assisted supramolecular self-assemblies of succinate and malate adducts: Crystal structure and Theoretical modelling |
| Authors of publication | RUBALINGAM, PADMAVATHY; N, Karthikeyan; Duraisamy, Sathya; R, Jagan; R., Mohan Kumar; Kandasamy, Sivakumar |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 6.0011 ± 0.0003 Å |
| b | 18.2772 ± 0.001 Å |
| c | 11.7435 ± 0.0007 Å |
| α | 90° |
| β | 99.398 ± 0.002° |
| γ | 90° |
| Cell volume | 1270.78 ± 0.12 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.1568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225852.cif |
| 184278 | 2016-07-07 | cif/ Adding structures of 7225852, 7225853, 7225854, 7225855 via cif-deposit CGI script. |
7225852.cif |
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Users of the data should acknowledge the original authors of the
structural data.