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Information card for entry 1519221
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| Coordinates | 1519221.cif |
|---|
| Formula | C10 H12 N O2 |
|---|---|
| Calculated formula | C10 H12 N O2 |
| SMILES | O(N(C(=O)C)C)Cc1ccccc1 |
| Title of publication | C10H12NO2 |
| Authors of publication | Jones, Ray; Light, Mark E.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1999 |
| Pages of publication | 742 |
| a | 5.3172 ± 0.0014 Å |
| b | 8.805 ± 0.003 Å |
| c | 20.641 ± 0.007 Å |
| α | 90° |
| β | 91.695 ± 0.017° |
| γ | 90° |
| Cell volume | 965.9 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.21 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1411 |
| Weighted residual factors for all reflections included in the refinement | 0.2012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1519221.cif |
| 135539 | 2015-05-05 | cif/ Adding structures of 1519221 via cif-deposit CGI script. |
1519221.cif |
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Users of the data should acknowledge the original authors of the
structural data.