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Information card for entry 7157766
Preview
| Coordinates | 7157766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H21 Cl3 N2 O4 |
|---|---|
| Calculated formula | C33 H21 Cl3 N2 O4 |
| SMILES | Clc1cc(Cl)c(C(=O)Nn2c(c(OCc3cc4OCOc4cc3)c3c4ccccc4ccc23)c2ccccc2)c(Cl)c1 |
| Title of publication | A Rh(ii)/phosphoric acid co-catalyzed three-component reaction of diazo-ketones with alcohols and azonaphthalenes: access to indole derivatives via a formal [3 + 2]-cycloaddition. |
| Authors of publication | Yin, Xinru; Xu, Aimin; Hu, Jidi; Bao, Ming; Hu, Wenhao; Qian, Yu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 48 |
| Pages of publication | 9805 - 9809 |
| a | 14.0142 ± 0.0004 Å |
| b | 21.038 ± 0.0005 Å |
| c | 9.3503 ± 0.0003 Å |
| α | 90° |
| β | 90.176 ± 0.002° |
| γ | 90° |
| Cell volume | 2756.74 ± 0.14 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1261 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157766.cif |
| 260825 | 2021-01-07 | cif/ Updating files of 7157764, 7157765, 7157766 Original log message: Adding full bibliography for 7157764--7157766.cif. |
7157766.cif |
| 259450 | 2020-12-02 | cif/ Adding structures of 7157764, 7157765, 7157766 via cif-deposit CGI script. |
7157766.cif |
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Users of the data should acknowledge the original authors of the
structural data.