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Information card for entry 1547119
Preview
| Coordinates | 1547119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H10 O2 |
|---|---|
| Calculated formula | C17 H10 O2 |
| SMILES | O1c2c(c3ccccc3C1=O)c1c(cc2)cccc1 |
| Title of publication | Rh(III)-Catalyzed C-H Activation/Cyclization of Benzamides and Diazonaphthalen-2(1H)-ones for Synthesis of Lactones. |
| Authors of publication | Chen, Renjie; Cui, Sunliang |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 15 |
| Pages of publication | 4002 - 4005 |
| a | 7.9901 ± 0.0013 Å |
| b | 9.9985 ± 0.0016 Å |
| c | 16.101 ± 0.003 Å |
| α | 101.591 ± 0.003° |
| β | 98.611 ± 0.003° |
| γ | 107.446 ± 0.003° |
| Cell volume | 1171.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0968 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1513 |
| Weighted residual factors for all reflections included in the refinement | 0.1723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547119.cif |
| 200637 | 2017-09-12 | cif/ Adding structures of 1547119 via cif-deposit CGI script. |
1547119.cif |
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Users of the data should acknowledge the original authors of the
structural data.