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Information card for entry 7063886
Preview
| Coordinates | 7063886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H15 N O5 |
|---|---|
| Calculated formula | C21 H15 N O5 |
| Title of publication | Metal-free three-component reactions of alkynes for the construction of 3,4-difunctionalized benzo[h]coumarins |
| Authors of publication | Xia, Shendan; Wang, Chaojie; Xu, Yuyan; Zheng, Hao; Chen, Zhiwei |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2025 |
| Journal volume | 49 |
| Journal issue | 18 |
| Pages of publication | 7541 - 7545 |
| a | 19.153 ± 0.0005 Å |
| b | 10.6458 ± 0.0003 Å |
| c | 18.1359 ± 0.0004 Å |
| α | 90° |
| β | 114.701 ± 0.001° |
| γ | 90° |
| Cell volume | 3359.54 ± 0.15 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300376 (current) | 2025-07-06 | cif/ Adding structures of 7063886 via cif-deposit CGI script. |
7063886.cif |
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Users of the data should acknowledge the original authors of the
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