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Information card for entry 7044035
Preview
| Coordinates | 7044035.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H80 Cu2 O12 P4 S |
|---|---|
| Calculated formula | C76 H64 Cu2 O12 P4 S |
| Title of publication | A dinuclear copper(I) thiodiacetate complex as an efficient and reusable ‘click’ catalyst for the synthesis of glycoconjugates |
| Authors of publication | Sareen, Neha; Singh, Anoop S.; TIWARI, Vinod K K; Kant, Rajni; Bhattacharya, Subrato |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 13.251 ± 0.002 Å |
| b | 13.8014 ± 0.0017 Å |
| c | 20.973 ± 0.003 Å |
| α | 91.438 ± 0.01° |
| β | 94.858 ± 0.012° |
| γ | 103.183 ± 0.012° |
| Cell volume | 3717.2 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1634 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199997 (current) | 2017-08-30 | cif/ Adding structures of 7044035 via cif-deposit CGI script. |
7044035.cif |
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Users of the data should acknowledge the original authors of the
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