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Information card for entry 1567887
Preview
| Coordinates | 1567887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H16 N2 O6 |
|---|---|
| Calculated formula | C18 H16 N2 O6 |
| Title of publication | Iridium-Catalyzed Enantioselective Alkynylation and Kinetic Resolution of Alkyl Allylic Alcohols |
| Authors of publication | Guo, Jia; Ma, Hao-Ran; Xiong, Wen-Bin; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 5.6781 ± 0.0003 Å |
| b | 9.773 ± 0.0006 Å |
| c | 15.2351 ± 0.0009 Å |
| α | 90° |
| β | 92.831 ± 0.003° |
| γ | 90° |
| Cell volume | 844.4 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0297 |
| Residual factor for significantly intense reflections | 0.0293 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278904 (current) | 2022-11-02 | cif/ Adding structures of 1567887 via cif-deposit CGI script. |
1567887.cif |
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Users of the data should acknowledge the original authors of the
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