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Information card for entry 1507712
Preview
| Coordinates | 1507712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 N2 O S2 |
|---|---|
| Calculated formula | C16 H16 N2 O S2 |
| SMILES | S=C1SC(=O)[C@]2(N1CCn1c3ccccc3cc21)CCC |
| Title of publication | Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures. |
| Authors of publication | Schönherr, Heike; Leighton, James L. |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 2610 - 2613 |
| a | 8.3985 ± 0.0011 Å |
| b | 11.9291 ± 0.0015 Å |
| c | 15.318 ± 0.002 Å |
| α | 101.135 ± 0.002° |
| β | 94.64 ± 0.002° |
| γ | 90.106 ± 0.002° |
| Cell volume | 1500.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0751 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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