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Information card for entry 1567897
Preview
| Coordinates | 1567897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H21 N O2 |
|---|---|
| Calculated formula | C30 H21 N O2 |
| Title of publication | An expeditious FeCl3-catalyzed cascade 1,4-conjugate addition/annulation/1,5-H shift sequence for modular access of all-pyrano-moiety-substituted chromenes |
| Authors of publication | He, Xinwei; Li, Ruxue; Choy, Pui Ying; Duan, Jiahui; Yin, Zhenzhen; Xu, Keke; Tang, Qiang; Zhong, RongLin; Shang, Yongjia; Kwong, Fuk Yee |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 13.4932 ± 0.0016 Å |
| b | 9.8466 ± 0.0012 Å |
| c | 17.378 ± 0.002 Å |
| α | 90° |
| β | 102.184 ± 0.004° |
| γ | 90° |
| Cell volume | 2256.9 ± 0.5 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1615 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.168 |
| Weighted residual factors for all reflections included in the refinement | 0.2281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278932 (current) | 2022-11-04 | cif/ Adding structures of 1567897, 1567898, 1567899 via cif-deposit CGI script. |
1567897.cif |
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Users of the data should acknowledge the original authors of the
structural data.