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Information card for entry 1556170
Preview
| Coordinates | 1556170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H10 N2 O2 |
|---|---|
| Calculated formula | C16 H10 N2 O2 |
| SMILES | O=C1c2ccccc2n2c1nc1ccc(cc1c2=O)C |
| Title of publication | Cu-catalyzed synthesis of tryptanthrin derivatives from substituted indoles. |
| Authors of publication | Wang, Chen; Zhang, Lianpeng; Ren, Anni; Lu, Ping; Wang, Yanguang |
| Journal of publication | Organic letters |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 2982 - 2985 |
| a | 7.49 ± 0.0009 Å |
| b | 14.7964 ± 0.0011 Å |
| c | 11.472 ± 0.0012 Å |
| α | 90° |
| β | 107.785 ± 0.011° |
| γ | 90° |
| Cell volume | 1210.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| 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 |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556170.cif |
| 243524 | 2019-11-26 | cif/ Adding structures of 1556170 via cif-deposit CGI script. |
1556170.cif |
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Users of the data should acknowledge the original authors of the
structural data.