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Information card for entry 7238642
Preview
| Coordinates | 7238642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H26 Cl3 N3 |
|---|---|
| Calculated formula | C26 H26 Cl3 N3 |
| Title of publication | Formation of unexpected α-amino amidine through three-component ‘UGI condensation reaction’ |
| Authors of publication | Khan, Abu T.; R, Sidick Basha; Lal, Mohan; Mir, Mohammad Hedayetullah |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 13 |
| Pages of publication | 5506 |
| a | 12.9999 ± 0.0009 Å |
| b | 11.9658 ± 0.001 Å |
| c | 16.7478 ± 0.0012 Å |
| α | 90° |
| β | 92.12 ± 0.004° |
| γ | 90° |
| Cell volume | 2603.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1786 |
| Residual factor for significantly intense reflections | 0.0875 |
| Weighted residual factors for significantly intense reflections | 0.2237 |
| Weighted residual factors for all reflections included in the refinement | 0.2754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238642.cif |
| 244270 | 2019-11-28 | cif/ Adding structures of 7238642, 7238643, 7238644 via cif-deposit CGI script. |
7238642.cif |
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Users of the data should acknowledge the original authors of the
structural data.