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Information card for entry 4036538
Preview
Coordinates | 4036538.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H24 Br N O4 |
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Calculated formula | C23 H24 Br N O4 |
SMILES | Brc1ccc(cc1)N[C@H](c1ccccc1)[C@H]1C(=C)CC(C1)(C(=O)OC)C(=O)OC.Brc1ccc(cc1)N[C@@H](c1ccccc1)[C@@H]1C(=C)CC(C1)(C(=O)OC)C(=O)OC |
Title of publication | Broad Scope Aminocyclization of Enynes with Cationic JohnPhos-Gold(I) Complex as the Catalyst. |
Authors of publication | Miller, Ricarda; Carreras, Javier; Muratore, Michael E.; Gaydou, Morgane; Camponovo, Francesco; Echavarren, Antonio M. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 5 |
Pages of publication | 1839 - 1849 |
a | 7.7964 ± 0.0007 Å |
b | 11.2871 ± 0.001 Å |
c | 12.1556 ± 0.001 Å |
α | 85.121 ± 0.003° |
β | 86.964 ± 0.002° |
γ | 82.875 ± 0.002° |
Cell volume | 1056.6 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0361 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0775 |
Weighted residual factors for all reflections included in the refinement | 0.0802 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4036538.html
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