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Information card for entry 4131649
Preview
| Coordinates | 4131649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61.5 H46 N O13.5 Zn4 |
|---|---|
| Calculated formula | C61.5 H46 N O13.5 Zn4 |
| Title of publication | Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework. |
| Authors of publication | Liu, Lujia; Zhou, Tian-You; Telfer, Shane G. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 39 |
| Pages of publication | 13936 - 13943 |
| a | 29.9603 ± 0.0003 Å |
| b | 29.9603 ± 0.0003 Å |
| c | 29.9603 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 26893 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 200 |
| Hermann-Mauguin space group symbol | P m -3 |
| Hall space group symbol | -P 2 2 3 |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.1615 |
| Weighted residual factors for all reflections included in the refinement | 0.1649 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.409 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241823 (current) | 2019-11-25 | cif/ Adding structures of 4131647, 4131648, 4131649 via cif-deposit CGI script. |
4131649.cif |
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Users of the data should acknowledge the original authors of the
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