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Information card for entry 4038493
Preview
| Coordinates | 4038493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C147 H132 N16 O27 Zn |
|---|---|
| Calculated formula | C147 H132 N16 O27 Zn |
| Title of publication | Multivalent Allyl-Substituted Macrocycles as Non-Aggregating Building Blocks. |
| Authors of publication | Husain, Ali; Ganesan, Asaithampi; Ghazal, Basma; Makhseed, Saad |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 23.94 ± 0.011 Å |
| b | 28.05 ± 0.013 Å |
| c | 23.991 ± 0.011 Å |
| α | 90° |
| β | 119.85 ± 0.008° |
| γ | 90° |
| Cell volume | 13973 ± 11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1687 |
| Residual factor for significantly intense reflections | 0.1287 |
| Weighted residual factors for significantly intense reflections | 0.3375 |
| Weighted residual factors for all reflections included in the refinement | 0.3647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.259 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253112 (current) | 2020-06-12 | cif/ Adding structures of 4038493 via cif-deposit CGI script. |
4038493.cif |
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Users of the data should acknowledge the original authors of the
structural data.