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Information card for entry 1546995
Preview
| Coordinates | 1546995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Compound 24 |
|---|---|
| Formula | C17.67 H21.28 Cl1.3 N0.89 O1.78 |
| Calculated formula | C17.6724 H21.2813 Cl1.30222 N0.888889 O1.77778 |
| Title of publication | Tertiary Amine Synthesis via Reductive Coupling of Amides with Grignard Reagents |
| Authors of publication | Dixon, Darren; Xie, Lan-Gui |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 18.548 ± 0.004 Å |
| b | 11.9461 ± 0.0013 Å |
| c | 18.0773 ± 0.0018 Å |
| α | 90° |
| β | 96.376 ± 0.014° |
| γ | 90° |
| Cell volume | 3980.7 ± 1 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1184 |
| Residual factor for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections | 0.2966 |
| Weighted residual factors for significantly intense reflections | 0.2241 |
| Weighted residual factors for all reflections included in the refinement | 0.2959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0347 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200505 (current) | 2017-09-12 | cif/ Adding structures of 1546995 via cif-deposit CGI script. |
1546995.cif |
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