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Information card for entry 1558131
Preview
| Coordinates | 1558131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 Cl N2 O5 |
|---|---|
| Calculated formula | C28 H24 Cl N2 O5 |
| Title of publication | NaH Promoted One-Pot Tandem Reactions of 3-(1-Alkynyl) Chromones to Form 2-Nitrogen-Substituted Xanthones |
| Authors of publication | Duan, Wen-Di; Zhang, Yu-Fang; Hu, Youhong |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 22 |
| Pages of publication | 13454 - 13461 |
| a | 26.429 ± 0.002 Å |
| b | 26.429 ± 0.002 Å |
| c | 7.867 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5495 ± 0.8 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 5 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.1561 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.1877 |
| Weighted residual factors for all reflections included in the refinement | 0.2393 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1558131.cif |
| 252440 | 2020-05-29 | cif/ Adding structures of 1558131 via cif-deposit CGI script. |
1558131.cif |
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Users of the data should acknowledge the original authors of the
structural data.