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Information card for entry 1573250
Preview
| Coordinates | 1573250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 Br2 N O2 |
|---|---|
| Calculated formula | C23 H21 Br2 N O2 |
| Title of publication | BINAP-CuH-catalysed enantioselective allylation using alkoxyallenes to access 1,2-syn-tert,sec-diols |
| Authors of publication | Navaneetha, N.; Maurya, Sundaram; Behera, Prativa; Jadhav, Sandip B.; Magham, Lakshmi Revati; Nanubolu, Jagadeesh Babu; Roy, Lisa; Chegondi, Rambabu |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 8.759 ± 0.002 Å |
| b | 8.907 ± 0.003 Å |
| c | 15.126 ± 0.005 Å |
| α | 73.632 ± 0.007° |
| β | 82 ± 0.011° |
| γ | 75.587 ± 0.007° |
| Cell volume | 1093.6 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0971 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.1115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296050 (current) | 2024-11-22 | cif/ Adding structures of 1573250, 1573251, 1573252 via cif-deposit CGI script. |
1573250.cif |
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Users of the data should acknowledge the original authors of the
structural data.