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Information card for entry 7224058
Preview
| Coordinates | 7224058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 F N3 |
|---|---|
| Calculated formula | C24 H22 F N3 |
| SMILES | Fc1ccc(c2c(c(N)c(c(N3CCCCC3)c2)C#N)c2ccccc2)cc1 |
| Title of publication | Microwave directed metal-free regiodivergent synthesis of 1,2-teraryls and study of supramolecular interactions |
| Authors of publication | Pratap, Ramendra; Singh, Surjeet; Shally, Shally; Shaw, Ranjay; Yadav, Reena; Kumar, Abhinav |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.0016 ± 0.0005 Å |
| b | 10.9336 ± 0.0005 Å |
| c | 11.1245 ± 0.0006 Å |
| α | 105.508 ± 0.004° |
| β | 106.64 ± 0.004° |
| γ | 110.161 ± 0.004° |
| Cell volume | 999.42 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0728 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1288 |
| Weighted residual factors for all reflections included in the refinement | 0.1419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.93 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 175273 (current) | 2016-01-29 | cif/ Adding structures of 7224058 via cif-deposit CGI script. |
7224058.cif |
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