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Information card for entry 7121773
Preview
| Coordinates | 7121773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H26 N2 O2 |
|---|---|
| Calculated formula | C30 H26 N2 O2 |
| Title of publication | Ytterbium and silver co-catalyzed synthesis of pyrrole-fused bicyclic skeletons from enynones and isocyanides. |
| Authors of publication | Li, Feng; Hu, Peng; Sun, Mingming; Li, Chunju; Jia, Xueshun; Li, Jian |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 49 |
| Pages of publication | 6412 - 6415 |
| a | 31.48 ± 0.006 Å |
| b | 7.4853 ± 0.0013 Å |
| c | 20.361 ± 0.004 Å |
| α | 90° |
| β | 104.443 ± 0.002° |
| γ | 90° |
| Cell volume | 4646.2 ± 1.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1343 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| 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 |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121773.cif |
| 228493 | 2019-11-17 | cif/ Updating files of 7121772, 7121773 Original log message: Adding full bibliography for 7121772--7121773.cif. |
7121773.cif |
| 208029 | 2018-05-30 | cif/ Adding structures of 7121772, 7121773 via cif-deposit CGI script. |
7121773.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.