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Information card for entry 1555442
Preview
| Coordinates | 1555442.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H170 Cl8 Cu2 N16 O17 |
|---|---|
| Calculated formula | C104 H170 Cl8 Cu2 N16 O17 |
| Title of publication | Synthesis and Structural Characterization of a Cyclen-Derived Molecular Cage. |
| Authors of publication | Ganss, Alexander; Belda, Raquel; Pitarch, Javier; Goddard, Richard; García-España, Enrique; Kubik, Stefan |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 23 |
| Pages of publication | 5850 - 5853 |
| a | 25.299 ± 0.002 Å |
| b | 19.2324 ± 0.0013 Å |
| c | 28.254 ± 0.004 Å |
| α | 90° |
| β | 91.806 ± 0.009° |
| γ | 90° |
| Cell volume | 13740 ± 2 Å3 |
| Cell temperature | 120 ± 10 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.1702 |
| Residual factor for significantly intense reflections | 0.1148 |
| Weighted residual factors for significantly intense reflections | 0.2927 |
| Weighted residual factors for all reflections included in the refinement | 0.3454 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.95 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238682 (current) | 2019-11-24 | cif/ Adding structures of 1555442 via cif-deposit CGI script. |
1555442.cif |
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