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Information card for entry 1544311
Preview
| Coordinates | 1544311.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ethyl (naphthalen-2-yloxy)acetate |
|---|---|
| Formula | C14 H14 O3 |
| Calculated formula | C14 H14 O3 |
| SMILES | O(c1ccc2ccccc2c1)CC(=O)OCC |
| Title of publication | Ethyl (naphthalen-2-yloxy)acetate |
| Authors of publication | Madan Kumar, S.; Manju, N.; Kalluraya, Balakrishna; Byrappa, K.; Abdoh, M. M. M. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 10 |
| Pages of publication | x161594 |
| a | 6.0504 ± 0.0011 Å |
| b | 10.2188 ± 0.0013 Å |
| c | 10.8744 ± 0.0016 Å |
| α | 106.062 ± 0.012° |
| β | 102.923 ± 0.014° |
| γ | 103.358 ± 0.014° |
| Cell volume | 598.14 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1633 |
| Residual factor for significantly intense reflections | 0.0827 |
| Weighted residual factors for significantly intense reflections | 0.1993 |
| Weighted residual factors for all reflections included in the refinement | 0.2589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187411 (current) | 2016-10-19 | cif/ Adding structures of 1544311 via cif-deposit CGI script. |
1544311.cif |
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