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Information card for entry 7160529
Preview
| Coordinates | 7160529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H7 F O3 |
|---|---|
| Calculated formula | C10 H7 F O3 |
| Title of publication | Tandem of Asymmetric Organocatalysis and Selective Post-Functionalization: Enantiodivergent Synthesis of Bioactive Indane-1-Carboxylic Acid Derivatives |
| Authors of publication | Zhanabaeva, Madina; Kovalevsky, Ruslan; Kucherenko, Alexander; Korlyukov, Alexander; Zlotin, Sergei Grigorievich |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 6.0058 ± 0.0009 Å |
| b | 14.041 ± 0.002 Å |
| c | 19.541 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1647.8 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1013 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299569 (current) | 2025-05-08 | cif/ Adding structures of 7160529 via cif-deposit CGI script. |
7160529.cif |
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Users of the data should acknowledge the original authors of the
structural data.