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Information card for entry 2006916
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| Coordinates | 2006916.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C23 H21 N O2 S |
|---|---|
| Calculated formula | C23 H21 N O2 S |
| SMILES | S=C(N(c1ccccc1)C(=O)CCc1ccccc1)c1ccc(OC)cc1 |
| Title of publication | Photocleavage Reactions of Monothioimides |
| Authors of publication | Fu, Tai Y.; Scheffer, John R.; Trotter, James |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 103 - 107 |
| a | 26.345 ± 0.006 Å |
| b | 24.531 ± 0.007 Å |
| c | 6.073 ± 0.01 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3925 ± 7 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.