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Information card for entry 7226301
Preview
| Coordinates | 7226301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H43 Br2 N2 O14 |
|---|---|
| Calculated formula | C49 H36 Br2 N2 O14 |
| Title of publication | Organocatalytic Tandem Enantioselective Michael-Cyclization of Isatin-Derived β, γ-Unsaturated α-Ketoesters with 3-Hydroxy-4H-Chromen-4-One or 2-Hydroxy-1,4-Naphthoquinone Derivatives |
| Authors of publication | Yin, Shao-Jie; Zhang, Shao-Yun; Zhang, Jun-Qi; Sun, Bing-Bing; Fan, Wei-Tai; Wu, Bing; Wang, Xingwang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.7894 ± 0.0008 Å |
| b | 17.4413 ± 0.0012 Å |
| c | 10.9644 ± 0.0007 Å |
| α | 90° |
| β | 96.421 ± 0.006° |
| γ | 90° |
| Cell volume | 2430.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0942 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.1966 |
| Weighted residual factors for all reflections included in the refinement | 0.2246 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185891 (current) | 2016-08-19 | cif/ Adding structures of 7226301 via cif-deposit CGI script. |
7226301.cif |
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