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Information card for entry 7160168
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| Coordinates | 7160168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H41 Cl2 N3 O5 Pd S |
|---|---|
| Calculated formula | C30 H41 Cl2 N3 O5 Pd S |
| Title of publication | A macrocycle-based new organometallic nano-vessel towards sustainable C2-selective arylation of free indole in water. |
| Authors of publication | Mandal, Subham; Sarkar, Piyali; Ghosh, Pradyut |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 36 |
| Pages of publication | 7438 - 7447 |
| a | 8.576 ± 0.003 Å |
| b | 38.304 ± 0.013 Å |
| c | 10.469 ± 0.004 Å |
| α | 90° |
| β | 109.747 ± 0.01° |
| γ | 90° |
| Cell volume | 3237 ± 2 Å3 |
| Cell temperature | 140.02 K |
| Ambient diffraction temperature | 140.02 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0933 |
| Weighted residual factors for significantly intense reflections | 0.2378 |
| Weighted residual factors for all reflections included in the refinement | 0.2494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295073 (current) | 2024-10-05 | cif/ Adding structures of 7160168 via cif-deposit CGI script. |
7160168.cif |
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Users of the data should acknowledge the original authors of the
structural data.