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Information card for entry 7222407
Preview
| Coordinates | 7222407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H36 N6 O12 Zn2 |
|---|---|
| Calculated formula | C40 H36 N6 O12 Zn2 |
| Title of publication | Amide Functionalized Metal Organic Frameworks for Diastereoselective Nitroaldol (Henry) Reaction in Aqueous Medium |
| Authors of publication | Paul, Anup; Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 8.035 ± 0.0009 Å |
| b | 24.892 ± 0.003 Å |
| c | 10.8856 ± 0.0013 Å |
| α | 90° |
| β | 111.56 ± 0.004° |
| γ | 90° |
| Cell volume | 2024.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 159570 (current) | 2015-10-03 | cif/ Adding structures of 7222407, 7222408 via cif-deposit CGI script. |
7222407.cif |
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Users of the data should acknowledge the original authors of the
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