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Information card for entry 1519233
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| Coordinates | 1519233.cif |
|---|
| Formula | C23 H26 N2 O3 |
|---|---|
| Calculated formula | C23 H26 N2 O3 |
| SMILES | O1CCN(CC1)c1ccccc1C(O)(C#C)c1ccc(N2CCOCC2)cc1 |
| Title of publication | C23H26N2O3 |
| Authors of publication | Heron, Mark; Gelbrich, Thomas; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 1999 |
| Pages of publication | 805 |
| a | 13.189 ± 0.003 Å |
| b | 9.3 ± 0.002 Å |
| c | 16.258 ± 0.003 Å |
| α | 90° |
| β | 102.79 ± 0.03° |
| γ | 90° |
| Cell volume | 1944.7 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0913 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1124 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| 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. |
1519233.cif |
| 135551 | 2015-05-05 | cif/ Adding structures of 1519233 via cif-deposit CGI script. |
1519233.cif |
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Users of the data should acknowledge the original authors of the
structural data.