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Information card for entry 2241130
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| Coordinates | 2241130.cif |
|---|---|
| Structure factors | 2241130.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 5-Diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)phenol |
|---|---|
| Formula | C21 H29 N3 O |
| Calculated formula | C21 H29 N3 O |
| Title of publication | Crystal structure of 5-diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)phenol |
| Authors of publication | Rani, C. Vidya; Chakkaravarthi, G.; Gandhi, N. Indra; Rajagopal, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o712 - o713 |
| a | 8.1986 ± 0.0004 Å |
| b | 9.7128 ± 0.0004 Å |
| c | 24.4172 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1944.37 ± 0.16 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1229 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.163 |
| Weighted residual factors for all reflections included in the refinement | 0.2047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241130.cif 2241130.hkl |
| 181912 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241130.cif 2241130.hkl |
| 158380 | 2015-09-26 | cif/ hkl/ Adding structures of 2241130 via cif-deposit CGI script. |
2241130.cif 2241130.hkl |
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Users of the data should acknowledge the original authors of the
structural data.