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Information card for entry 7134818
Preview
| Coordinates | 7134818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | KN_TB_TFA_C1 |
|---|---|
| Formula | C38 H44 N4 O2 |
| Calculated formula | C38 H44 N4 O2 |
| Title of publication | Chemoselective Transfer Hydrogenation and Transfer Deuteration of Substituted Quinolines using Hantzsch ester and D2O |
| Authors of publication | Bhatt, Tarun; Dutta, Tonmoy; Yaswanth, Kokkiripati; Kalevaru, Narayana; Wohlrab, Sebastian; Natte, Kishore |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 17.6633 ± 0.0015 Å |
| b | 8.3253 ± 0.0008 Å |
| c | 21.863 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3215 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1097 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301213 (current) | 2025-07-11 | cif/ Adding structures of 7134818, 7134819 via cif-deposit CGI script. |
7134818.cif |
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