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Information card for entry 1544029
Preview
| Coordinates | 1544029.cif |
|---|---|
| Structure factors | 1544029.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (<i>E</i>)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one |
|---|---|
| Formula | C22 H19 N O2 |
| Calculated formula | C22 H19 N O2 |
| Title of publication | (<i>E</i>)-1-(4-Aminophenyl)-3-[4-(benzyloxy)phenyl]prop-2-en-1-one |
| Authors of publication | Hannah Clara, T.; Prasana, Johanan Christian; Reuben Jonathan, D.; Revathi, B. K.; Usha, G. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | x161371 |
| a | 21.3428 ± 0.0008 Å |
| b | 5.7635 ± 0.0002 Å |
| c | 28.287 ± 0.0011 Å |
| α | 90° |
| β | 91.634 ± 0.001° |
| γ | 90° |
| Cell volume | 3478.1 ± 0.2 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 | 0.1042 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1914 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1544029.cif 1544029.hkl |
| 186184 | 2016-09-06 | cif/ hkl/ Adding structures of 1544029 via cif-deposit CGI script. |
1544029.cif 1544029.hkl |
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Users of the data should acknowledge the original authors of the
structural data.