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Information card for entry 7230000
Preview
| Coordinates | 7230000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H7 F3 N2 O3 |
|---|---|
| Calculated formula | C10 H7 F3 N2 O3 |
| Title of publication | Asymmetric synthesis of polysubstituted chiral chromans via an organocatalytic oxa-Michael-nitro-Michael domino reaction |
| Authors of publication | Tang, Cheng-Ke; Feng, Kai-Xiang; Xia, Ai-Bao; Li, Chen; Zheng, Ya-Yun; Xu, Zhen-Yuan; Xu, Dan-Qian |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 6 |
| Pages of publication | 3095 |
| a | 15.609 ± 0.004 Å |
| b | 5.0175 ± 0.0012 Å |
| c | 14.758 ± 0.004 Å |
| α | 90° |
| β | 109.902 ± 0.005° |
| γ | 90° |
| Cell volume | 1086.8 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0807 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Weighted residual factors for all reflections included in the refinement | 0.1769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205351 (current) | 2018-01-18 | cif/ Adding structures of 7230000 via cif-deposit CGI script. |
7230000.cif |
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Users of the data should acknowledge the original authors of the
structural data.