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Information card for entry 1551095
Preview
| Coordinates | 1551095.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H21 N O |
|---|---|
| Calculated formula | C20 H21 N O |
| SMILES | C(=O)c1c(C)ccn2c1ccc2c1ccc(cc1)C(C)(C)C |
| Title of publication | Gold-catalyzed Bicyclic Annulations of 4-Methoxy-1,2-dienyl-5-ynes with Isoxazoles to Form Indolizine Derivatives via Au--Allene Intermediate |
| Authors of publication | Liu, Rai-Shung; Kulandai Raj, Antony Sekar; Tan, Kuo-Chen; Chen, Liang-Yu; Cheng, Mu-Jeng |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 6.7561 ± 0.0003 Å |
| b | 8.5826 ± 0.0005 Å |
| c | 14.0541 ± 0.0008 Å |
| α | 90.518 ± 0.002° |
| β | 90.543 ± 0.002° |
| γ | 103.168 ± 0.002° |
| Cell volume | 793.41 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0506 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215428 (current) | 2019-05-23 | cif/ Adding structures of 1551094, 1551095, 1551096, 1551097, 1551098, 1551099 via cif-deposit CGI script. |
1551095.cif |
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Users of the data should acknowledge the original authors of the
structural data.