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Information card for entry 1551728
Preview
| Coordinates | 1551728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H27 N3 O2 |
|---|---|
| Calculated formula | C27 H27 N3 O2 |
| SMILES | c1ccccc1CN1CCN(CC1)Cc1c(=O)oc2ccccc2c1Nc1ccccc1 |
| Title of publication | Synthesis and Crystal Structure Study of 4-Anilino-3-[(4-benzylpiperazin-1-yl)-methyl]-2H-chromen-2-one |
| Authors of publication | NEETHA, S.; JOSHIPURA, D. N.; SRIDHAR, M. A.; PRASAD, J. Shashidhara; SHAH, Anamik |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2011 |
| Journal volume | 27 |
| Pages of publication | 1 |
| a | 27.799 ± 0.0013 Å |
| b | 27.799 Å |
| c | 12.18 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9412.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1007 |
| Residual factor for significantly intense reflections | 0.0692 |
| Weighted residual factors for significantly intense reflections | 0.2093 |
| Weighted residual factors for all reflections included in the refinement | 0.2491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216340 (current) | 2019-06-20 | cif/ Adding structures of 1551728 via cif-deposit CGI script. |
1551728.cif |
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Users of the data should acknowledge the original authors of the
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