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Information card for entry 7121801
Preview
| Coordinates | 7121801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | phenanthridine |
|---|---|
| Chemical name | 6-(4-methoxyphenyl)phenanthridine |
| Formula | C20 H15 N O |
| Calculated formula | C20 H15 N O |
| Title of publication | Rapid synthesis of polysubstituted phenanthridines from simple aliphatic/aromatic nitriles and iodo arenes via Pd(ii) catalyzed domino C-C/C-C/C-N bond formation. |
| Authors of publication | Jaiswal, Yogesh; Kumar, Yogesh; Pal, Jagannath; Subramanian, Ranga; Kumar, Amit |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 52 |
| Pages of publication | 7207 - 7210 |
| a | 13.107 ± 0.003 Å |
| b | 5.8099 ± 0.0012 Å |
| c | 19.648 ± 0.004 Å |
| α | 90° |
| β | 102.575 ± 0.007° |
| γ | 90° |
| Cell volume | 1460.3 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.1355 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| 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. |
7121801.cif |
| 228189 | 2019-11-17 | cif/ Updating files of 7121801 Original log message: Adding full bibliography for 7121801.cif. |
7121801.cif |
| 208112 | 2018-06-05 | cif/ Adding structures of 7121801 via cif-deposit CGI script. |
7121801.cif |
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Users of the data should acknowledge the original authors of the
structural data.