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Information card for entry 4515761
Preview
| Coordinates | 4515761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H60 Br2 F9 N4 O16 S3 Tm |
|---|---|
| Calculated formula | C42 H60 Br2 F9 N4 O16 S3 Tm |
| Title of publication | Catalytic Asymmetric Chemodivergent C2 Alkylation and [3 + 2]-Cycloaddition of 3-Methylindoles with Aziridines |
| Authors of publication | Xu, Yali; Chang, Fenzhen; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 11 |
| Pages of publication | 10261 |
| a | 9.458 ± 0.003 Å |
| b | 25.399 ± 0.008 Å |
| c | 11.67 ± 0.004 Å |
| α | 90° |
| β | 93.281 ± 0.012° |
| γ | 90° |
| Cell volume | 2798.8 ± 1.6 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.118 |
| Residual factor for significantly intense reflections | 0.0778 |
| Weighted residual factors for significantly intense reflections | 0.1882 |
| Weighted residual factors for all reflections included in the refinement | 0.2152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225886 (current) | 2019-11-10 | cif/ Adding structures of 4515761 via cif-deposit CGI script. |
4515761.cif |
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