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Information card for entry 4518040
Preview
| Coordinates | 4518040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C1.74 H1.74 O0.35 |
|---|---|
| Calculated formula | C1.73913 H1.73913 O0.347826 |
| Title of publication | Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters |
| Authors of publication | Xue, Zaikun; Li, Yao; Luo, Sanzhong |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 10989 |
| a | 6.4822 ± 0.0001 Å |
| b | 15.0713 ± 0.0002 Å |
| c | 16.8103 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1642.29 ± 0.04 Å3 |
| Cell temperature | 110 ± 0.1 K |
| Ambient diffraction temperature | 110 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.0311 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256409 (current) | 2020-09-15 | cif/ Adding structures of 4518040 via cif-deposit CGI script. |
4518040.cif |
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