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Information card for entry 7134819
Preview
| Coordinates | 7134819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | KN_TB_TFA_C2_1 |
|---|---|
| Formula | C27.5 H27 N O2 P |
| Calculated formula | C27 H24 N O P |
| 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 | 8.5764 ± 0.0005 Å |
| b | 9.5269 ± 0.0007 Å |
| c | 15.3568 ± 0.0011 Å |
| α | 100.161 ± 0.002° |
| β | 100.588 ± 0.002° |
| γ | 102.767 ± 0.002° |
| Cell volume | 1171.67 ± 0.14 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1119 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
7134819.cif |
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