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Information card for entry 7247352
Preview
| Coordinates | 7247352.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H26 N2 O3 |
|---|---|
| Calculated formula | C30 H26 N2 O3 |
| SMILES | o1c2N(C(Cc3c(c2c(c1c1ccccc1)C#N)cc1OCOc1c3)c1ccccc1)C(C)(C)C |
| Title of publication | Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light |
| Authors of publication | Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 20 |
| Pages of publication | 8074 - 8081 |
| a | 10.2545 ± 0.0003 Å |
| b | 11.784 ± 0.0004 Å |
| c | 18.9397 ± 0.0006 Å |
| α | 90° |
| β | 91.018 ± 0.003° |
| γ | 90° |
| Cell volume | 2288.29 ± 0.13 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0646 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1389 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287355 (current) | 2023-11-06 | cif/ Updating files of 7247352, 7247353, 7247354, 7247355, 7247356, 7247357, 7247358, 7247359 Original log message: Adding full bibliography for 7247352--7247359.cif. |
7247352.cif |
| 286279 | 2023-09-09 | cif/ Adding structures of 7247352, 7247353, 7247354, 7247355, 7247356, 7247357, 7247358, 7247359 via cif-deposit CGI script. |
7247352.cif |
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Users of the data should acknowledge the original authors of the
structural data.