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Information card for entry 7134476
Preview
| Coordinates | 7134476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H10 Br F N2 O5 |
|---|---|
| Calculated formula | C18 H10 Br F N2 O5 |
| Title of publication | Organocatalytic atroposelective fluorooxindole addition to coumarin Michael acceptors |
| Authors of publication | Bouda, Maria; Hana, Grace E.; Xhili, Dea; Sripada, Archita; Bertke, Jeffery A.; Wolf, Christian |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 43 |
| Pages of publication | 7883 - 7886 |
| a | 8.0949 ± 0.0007 Å |
| b | 8.6881 ± 0.0007 Å |
| c | 12.6768 ± 0.001 Å |
| α | 74.929 ± 0.001° |
| β | 84.954 ± 0.002° |
| γ | 73.257 ± 0.002° |
| Cell volume | 824.31 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0272 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.0582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300437 (current) | 2025-07-06 | cif/ Updating files of 7134475, 7134476, 7134477 Original log message: Adding full bibliography for 7134475--7134477.cif. |
7134476.cif |
| 299447 | 2025-04-30 | cif/ Adding structures of 7134475, 7134476, 7134477 via cif-deposit CGI script. |
7134476.cif |
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Users of the data should acknowledge the original authors of the
structural data.