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Information card for entry 1564263
Preview
| Coordinates | 1564263.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C168 H134 Cl5 N7 O16 Rh2 |
|---|---|
| Calculated formula | C168 H134 Cl5 N7 O16 Rh2 |
| Title of publication | Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates |
| Authors of publication | Sharland, Jack C.; Wei, Bo; Hardee, David J.; Hodges, Timothy R.; Gong, Wei; Voight, Eric A.; Davies, Huw M. L. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 20.07057 ± 0.00012 Å |
| b | 20.40295 ± 0.00011 Å |
| c | 41.1384 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16846.1 ± 0.16 Å3 |
| Cell temperature | 99.8 ± 0.8 K |
| Ambient diffraction temperature | 99.8 ± 0.8 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0503 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267795 (current) | 2021-07-29 | cif/ Adding structures of 1564262, 1564263, 1564264 via cif-deposit CGI script. |
1564263.cif |
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