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Information card for entry 7160644
Preview
| Coordinates | 7160644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 N4 O |
|---|---|
| Calculated formula | C20 H22 N4 O |
| Title of publication | Site-Selective C(sp3)-H Amination of (Het)aryl acetic acid Derivatives Under Copper (II) Catalysis |
| Authors of publication | Hajra, Arun Kumar; Ghosh, Prasanjit; Roy, Chandreyee; Kundu, Mrinalkanti; Das, Sajal |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 11.6746 ± 0.0006 Å |
| b | 11.1003 ± 0.0006 Å |
| c | 13.6168 ± 0.0007 Å |
| α | 90° |
| β | 99.287 ± 0.002° |
| γ | 90° |
| Cell volume | 1741.49 ± 0.16 Å3 |
| Cell temperature | 278 ± 2 K |
| Ambient diffraction temperature | 278 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0666 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301325 (current) | 2025-07-22 | cif/ Adding structures of 7160644 via cif-deposit CGI script. |
7160644.cif |
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Users of the data should acknowledge the original authors of the
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