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Information card for entry 1519174
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| Coordinates | 1519174.cif |
|---|
| Formula | C18 H19 N O2 |
|---|---|
| Calculated formula | C18 H19 N O2 |
| SMILES | O=C(N(CC(C)C)C(=O)c1ccccc1)c1ccccc1 |
| Title of publication | C18H19NO2 |
| Authors of publication | Tebby, John C.; Hibbs, Dai E.; Hursthouse, Michael B.; Lamond, Steven J. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1996 |
| Pages of publication | 796 |
| a | 7.93 ± 0.001 Å |
| b | 8.717 ± 0.0006 Å |
| c | 11.655 ± 0.001 Å |
| α | 75.19 ± 0.008° |
| β | 78.74 ± 0.009° |
| γ | 89.93 ± 0.007° |
| Cell volume | 762.9 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| 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. |
1519174.cif |
| 135490 | 2015-05-04 | cif/ Adding structures of 1519174 via cif-deposit CGI script. |
1519174.cif |
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Users of the data should acknowledge the original authors of the
structural data.