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Information card for entry 1555113
Preview
| Coordinates | 1555113.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H25 Cl N2 O5 |
|---|---|
| Calculated formula | C33 H25 Cl N2 O5 |
| Title of publication | Asymmetric domino 1,6-addition/annulation reaction of 3-cyano-4-alkenyl-2H-chromen-2-ones with isatin-derived MBH carbonates: enantioselective synthesis of 3,3′-cyclopentenylspirooxindoles bearing 2H-chromen-2-ones |
| Authors of publication | Wang, Zhen-Hua; Lei, Chuan-Wen; Zhang, Xia-Yan; You, Yong; Zhao, Jian-Qiang; Yuan, Wei-Cheng |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 19 |
| Pages of publication | 3342 |
| a | 10.596 ± 0.0005 Å |
| b | 11.6796 ± 0.0005 Å |
| c | 12.6988 ± 0.0006 Å |
| α | 69.855 ± 0.004° |
| β | 70.549 ± 0.004° |
| γ | 88.791 ± 0.004° |
| Cell volume | 1383.42 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0499 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238328 (current) | 2019-11-24 | cif/ Adding structures of 1555113 via cif-deposit CGI script. |
1555113.cif |
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Users of the data should acknowledge the original authors of the
structural data.