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Information card for entry 1547720
Preview
| Coordinates | 1547720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C115 H115 N13 O29 Zn4 |
|---|---|
| Calculated formula | C115 H108 N13 O29 Zn4 |
| Title of publication | Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization |
| Authors of publication | Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan |
| Journal of publication | Nature Communications |
| Year of publication | 2017 |
| Journal volume | 8 |
| Pages of publication | 361 |
| a | 25.9658 ± 0.0015 Å |
| b | 9.0558 ± 0.0005 Å |
| c | 27.369 ± 0.0015 Å |
| α | 90° |
| β | 117.686 ± 0.0009° |
| γ | 90° |
| Cell volume | 5698.7 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.2017 |
| Weighted residual factors for all reflections included in the refinement | 0.2161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202117 (current) | 2017-10-18 | cif/ Adding structures of 1547720 via cif-deposit CGI script. |
1547720.cif |
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