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Information card for entry 7129229
Preview
| Coordinates | 7129229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 N3 O3 |
|---|---|
| Calculated formula | C23 H21 N3 O3 |
| SMILES | O(CC)C(=O)[C@H]1CC2=NN(C(=O)[C@@]2(C)c2[nH]c3c(c12)cccc3)c1ccccc1 |
| Title of publication | Asymmetric synthesis of dihydrocarbazoles through Friedel-Crafts alkylation/annulation sequential reaction of indoles |
| Authors of publication | Hu, Linfeng; Cao, Weidi; Wang, Kaixuan; Liu, Xiaohua; Feng, Xiaoming |
| Journal of publication | Chemical Communications |
| Year of publication | 2021 |
| a | 14.994 ± 0.0004 Å |
| b | 7.9399 ± 0.0002 Å |
| c | 18.0476 ± 0.0005 Å |
| α | 90° |
| β | 110.222 ± 0.001° |
| γ | 90° |
| Cell volume | 2016.14 ± 0.09 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270625 (current) | 2021-11-13 | cif/ Adding structures of 7129229 via cif-deposit CGI script. |
7129229.cif |
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