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Information card for entry 1551076
Preview
| Coordinates | 1551076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H25 Br N2 O2 |
|---|---|
| Calculated formula | C35 H25 Br N2 O2 |
| SMILES | Brc1ccc2c3[C@@H]([C@@H](c4c(ccc5c4cccc5)O)N(c3ccc2c1)NC(=O)c1ccccc1)c1ccccc1 |
| 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 | 15.0667 ± 0.0004 Å |
| b | 15.0667 ± 0.0004 Å |
| c | 22.0098 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4327 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
1551076.cif |
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Users of the data should acknowledge the original authors of the
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