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Information card for entry 4514666
Preview
| Coordinates | 4514666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H92 Cl12 N8 O4 |
|---|---|
| Calculated formula | C108 H92 Cl12 N8 O4 |
| Title of publication | Ni-Catalyzed Regio- and Enantioselective Domino Reductive Cyclization: One-Pot Synthesis of 2,3-Fused Cyclopentannulated Indolines |
| Authors of publication | Ping, Yuanyuan; Wang, Kuai; Pan, Qi; Ding, Zhengtian; Zhou, Zhijun; Guo, Ya; Kong, Wangqing |
| Journal of publication | ACS Catalysis |
| Year of publication | 2019 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 7335 |
| a | 16.9269 ± 0.0005 Å |
| b | 16.7619 ± 0.0005 Å |
| c | 8.8583 ± 0.0003 Å |
| α | 90° |
| β | 91.738 ± 0.001° |
| γ | 90° |
| Cell volume | 2512.18 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.0813 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219845 (current) | 2019-10-28 | cif/ Adding structures of 4514666 via cif-deposit CGI script. |
4514666.cif |
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Users of the data should acknowledge the original authors of the
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