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Information card for entry 1550596
Preview
| Coordinates | 1550596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H18 Br N O2 |
|---|---|
| Calculated formula | C22 H18 Br N O2 |
| SMILES | Brc1ccc2[nH]cc([C@](C=O)(c3ccc4cc(OC)ccc4c3)C)c2c1 |
| Title of publication | Oxidative Organocatalysed Enantioselective Coupling of Indoles with Aldehydes that Forms Quaternary Carbon Stereocentres |
| Authors of publication | Rezayee, Nomaan Mohammed; Lauridsen, Vibeke Henriette; Næsborg, Line; Nguyen, Thanh V. Q.; Tobiesen, Henriette Natorp; Jorgensen, Karl Anker |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.3465 ± 0.0007 Å |
| b | 10.4901 ± 0.0008 Å |
| c | 18.9441 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1857.4 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0237 |
| Residual factor for significantly intense reflections | 0.0209 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.05 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.56086 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213628 (current) | 2019-02-14 | cif/ Adding structures of 1550596 via cif-deposit CGI script. |
1550596.cif |
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