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Information card for entry 4518039
Preview
| Coordinates | 4518039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 N4 O6 |
|---|---|
| Calculated formula | C27 H26 N4 O6 |
| 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 | 7.25553 ± 0.00003 Å |
| b | 7.4022 ± 0.00004 Å |
| c | 47.0222 ± 0.0002 Å |
| α | 90° |
| β | 92.058 ± 0.0004° |
| γ | 90° |
| Cell volume | 2523.79 ± 0.02 Å3 |
| Cell temperature | 170 ± 0.13 K |
| Ambient diffraction temperature | 170 ± 0.13 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256408 (current) | 2020-09-15 | cif/ Adding structures of 4518039 via cif-deposit CGI script. |
4518039.cif |
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Users of the data should acknowledge the original authors of the
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