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Information card for entry 7160603
Preview
| Coordinates | 7160603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H23 F2 N |
|---|---|
| Calculated formula | C31 H23 F2 N |
| Title of publication | Ruthenium catalysed isomerisation-methylenation of allyl alcohols with methanol: A one-pot synthesis of substituted pyridines |
| Authors of publication | Biswal, Priyabrata; Pullarat, Sanu Siyad; Samser, Shaikh; Aradhyula, Basava P. R.; Chandrasekhar, Vadapalli; Venkatasubbaiah, Krishnan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.4134 ± 0.0005 Å |
| b | 10.6542 ± 0.0007 Å |
| c | 12.1372 ± 0.0007 Å |
| α | 90.043 ± 0.005° |
| β | 104.592 ± 0.005° |
| γ | 106.186 ± 0.005° |
| Cell volume | 1128.01 ± 0.12 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0766 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1841 |
| Weighted residual factors for all reflections included in the refinement | 0.1916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300169 (current) | 2025-06-24 | cif/ Adding structures of 7160603 via cif-deposit CGI script. |
7160603.cif |
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