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Information card for entry 7708778
Preview
| Coordinates | 7708778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 N8 O |
|---|---|
| Calculated formula | C30 H24 N8 O |
| SMILES | O.n12c(ncc2cccc1)C(c1ncc2n1cccc2)C(c1ncc2n1cccc2)c1n2ccccc2cn1 |
| Title of publication | Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides |
| Authors of publication | Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 25.4894 ± 0.0009 Å |
| b | 7.8244 ± 0.0003 Å |
| c | 25.578 ± 0.0014 Å |
| α | 90° |
| β | 92.559 ± 0.004° |
| γ | 90° |
| Cell volume | 5096.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1097 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1638 |
| Weighted residual factors for all reflections included in the refinement | 0.1975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270588 (current) | 2021-11-11 | cif/ Adding structures of 7708774, 7708775, 7708776, 7708777, 7708778, 7708779 via cif-deposit CGI script. |
7708778.cif |
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Users of the data should acknowledge the original authors of the
structural data.