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Information card for entry 1519802
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| Coordinates | 1519802.cif |
|---|
| Formula | C14 H15 N O |
|---|---|
| Calculated formula | C14 H15 N O |
| SMILES | c12ccccc1C(=C1CCCCC1)C(=O)N2 |
| Title of publication | C14H15NO |
| Authors of publication | Spencer, John; Male, Louise; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2007 |
| Pages of publication | 351 |
| a | 5.3732 ± 0.0001 Å |
| b | 13.4962 ± 0.0004 Å |
| c | 15.8088 ± 0.0005 Å |
| α | 95.389 ± 0.001° |
| β | 98.498 ± 0.002° |
| γ | 101.201 ± 0.002° |
| Cell volume | 1103.32 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.094 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 137104 (current) | 2015-05-21 | cif/ Adding structures of 1519802 via cif-deposit CGI script. |
1519802.cif |
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Users of the data should acknowledge the original authors of the
structural data.