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Information card for entry 7134754
Preview
| Coordinates | 7134754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2.88 H1.88 Br0.25 O0.62 |
|---|---|
| Calculated formula | C2.875 H1.875 Br0.25 O0.625 |
| Title of publication | Mn(III)-Catalysed Domino Process for C-3 Substituted Dihydrocoumarins from 2-hydroxybenzyl Alcohols and 4-hydroxy-2H-chromen-2-ones |
| Authors of publication | Londhe, Gokul S.; Mondal, Shankhajit; Gnanaprakasam, Boopathy |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 4.725 ± 0.008 Å |
| b | 13.22 ± 0.05 Å |
| c | 17.69 ± 0.06 Å |
| α | 112.5 ± 0.3° |
| β | 92.17 ± 0.17° |
| γ | 89.8 ± 0.18° |
| Cell volume | 1020 ± 6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0911 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1735 |
| Weighted residual factors for all reflections included in the refinement | 0.1918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300161 (current) | 2025-06-24 | cif/ Adding structures of 7134754 via cif-deposit CGI script. |
7134754.cif |
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Users of the data should acknowledge the original authors of the
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