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Information card for entry 7121772
Preview
| Coordinates | 7121772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H30 N2 O2 |
|---|---|
| Calculated formula | C32 H30 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 | 7.925 ± 0.005 Å |
| b | 12.453 ± 0.007 Å |
| c | 13.592 ± 0.008 Å |
| α | 83.497 ± 0.008° |
| β | 82.328 ± 0.007° |
| γ | 88.609 ± 0.008° |
| Cell volume | 1320.8 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1218 |
| Residual factor for significantly intense reflections | 0.0833 |
| Weighted residual factors for significantly intense reflections | 0.2304 |
| Weighted residual factors for all reflections included in the refinement | 0.2734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| 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. |
7121772.cif |
| 228493 | 2019-11-17 | cif/ Updating files of 7121772, 7121773 Original log message: Adding full bibliography for 7121772--7121773.cif. |
7121772.cif |
| 208029 | 2018-05-30 | cif/ Adding structures of 7121772, 7121773 via cif-deposit CGI script. |
7121772.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.