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Information card for entry 4124563
Preview
| Coordinates | 4124563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C180 H100 O32 Zr6 |
|---|---|
| Calculated formula | C180 O32 Zr6 |
| Title of publication | Robust, Chiral, and Porous BINAP-Based Metal-Organic Frameworks for Highly Enantioselective Cyclization Reactions. |
| Authors of publication | Sawano, Takahiro; Thacker, Nathan C.; Lin, Zekai; McIsaac, Alexandra R.; Lin, Wenbin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 38 |
| Pages of publication | 12241 - 12248 |
| a | 46.098 ± 0.008 Å |
| b | 46.098 ± 0.008 Å |
| c | 46.098 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 97959 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.1614 |
| Residual factor for significantly intense reflections | 0.1359 |
| Weighted residual factors for significantly intense reflections | 0.3705 |
| Weighted residual factors for all reflections included in the refinement | 0.3786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.227 |
| Diffraction radiation wavelength | 0.41328 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 159584 (current) | 2015-10-05 | cif/ Adding structures of 4124563 via cif-deposit CGI script. |
4124563.cif |
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Users of the data should acknowledge the original authors of the
structural data.