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Information card for entry 4132078
Preview
| Coordinates | 4132078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H66 Cl13 Ir N2 O7 P2 |
|---|---|
| Calculated formula | C87 H66 Cl13 Ir N2 O7 P2 |
| Title of publication | Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations. |
| Authors of publication | Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 13 |
| Pages of publication | 4697 - 4704 |
| a | 28.2502 ± 0.0004 Å |
| b | 12.9485 ± 0.0001 Å |
| c | 28.5346 ± 0.0004 Å |
| α | 90° |
| β | 117.361 ± 0.002° |
| γ | 90° |
| Cell volume | 9270.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0808 |
| Residual factor for significantly intense reflections | 0.0739 |
| Weighted residual factors for significantly intense reflections | 0.2376 |
| Weighted residual factors for all reflections included in the refinement | 0.2433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.583 |
| 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 |
|---|---|---|---|
| 242120 (current) | 2019-11-26 | cif/ Adding structures of 4132078 via cif-deposit CGI script. |
4132078.cif |
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