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Information card for entry 7155853
Preview
| Coordinates | 7155853.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 N3 O |
|---|---|
| Calculated formula | C27 H23 N3 O |
| SMILES | n1c2Oc3c(Cc2c(c2c1n(nc2C)c1ccccc1)CCC)c1c(cc3)cccc1 |
| Title of publication | Microwave-assisted synthesis of novel hetero[5]helicene-like molecules and coumarin derivatives |
| Authors of publication | Lin, Wei; Hu, Xiuxiu; Song, Shuai; Cai, Qi; Wang, Yun; Shi, DaQing |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 10.884 ± 0.0009 Å |
| b | 14.483 ± 0.0013 Å |
| c | 14.997 ± 0.0012 Å |
| α | 104.061 ± 0.002° |
| β | 106.62 ± 0.002° |
| γ | 100.897 ± 0.001° |
| Cell volume | 2110.7 ± 0.3 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 | 0.115 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.0931 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200022 (current) | 2017-08-31 | cif/ Adding structures of 7155853, 7155854 via cif-deposit CGI script. |
7155853.cif |
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Users of the data should acknowledge the original authors of the
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