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Information card for entry 7134257
Preview
| Coordinates | 7134257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 O3 |
|---|---|
| Calculated formula | C13 H14 O3 |
| Title of publication | Palladium-catalyzed substrate-switchable C-H alkenylation and alkylation of benzoic acids using MBH alcohols. |
| Authors of publication | Bhattacharyya, Hemanga; Saha, Sharajit; Verma, Kshitiz; Punniyamurthy, Tharmalingam |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 21 |
| Pages of publication | 4200 - 4203 |
| a | 8.402 ± 0.003 Å |
| b | 8.472 ± 0.003 Å |
| c | 9.245 ± 0.004 Å |
| α | 109.344 ± 0.011° |
| β | 101.143 ± 0.011° |
| γ | 100.258 ± 0.011° |
| Cell volume | 588 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0734 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1271 |
| Weighted residual factors for all reflections included in the refinement | 0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298784 (current) | 2025-04-05 | cif/ Updating files of 7134257 Original log message: Adding full bibliography for 7134257.cif. |
7134257.cif |
| 297683 | 2025-02-12 | cif/ Adding structures of 7134257 via cif-deposit CGI script. |
7134257.cif |
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