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Information card for entry 1551072
Preview
| Coordinates | 1551072.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H29 Br N2 O4 S |
|---|---|
| Calculated formula | C42 H29 Br N2 O4 S |
| SMILES | c1(ccccc1)C(=O)Nn1c2c(c(c3ccc(Br)cc3)c1c1c(OS(=O)(=O)c3ccc(cc3)C)ccc3c1cccc3)c1c(cc2)cccc1 |
| Title of publication | Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles |
| Authors of publication | Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.462 ± 0.002 Å |
| b | 14.849 ± 0.004 Å |
| c | 14.515 ± 0.004 Å |
| α | 90° |
| β | 108.674 ± 0.005° |
| γ | 90° |
| Cell volume | 1932 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1443 |
| Residual factor for significantly intense reflections | 0.0767 |
| Weighted residual factors for significantly intense reflections | 0.1764 |
| Weighted residual factors for all reflections included in the refinement | 0.1943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215337 (current) | 2019-05-21 | cif/ Adding structures of 1551072, 1551073, 1551074, 1551075, 1551076 via cif-deposit CGI script. |
1551072.cif |
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Users of the data should acknowledge the original authors of the
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