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Information card for entry 7247676
Preview
| Coordinates | 7247676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cxy1822 |
|---|---|
| Chemical name | 3ao |
| Formula | C20 H22 O3 |
| Calculated formula | C20 H22 O3 |
| Title of publication | Asymmetric synthesis of chiral (thio)chromanes and exploration on their structure-activity relationship in macrophages. |
| Authors of publication | Zhang, Xiao; Zhou, Qian; Zhou, Yue; Wang, Zihao; Wang, Jun; Wang, Mingfu |
| Journal of publication | RSC advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 43 |
| Pages of publication | 30391 - 30400 |
| a | 6.4702 ± 0.0003 Å |
| b | 9.9613 ± 0.0004 Å |
| c | 25.6312 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1651.97 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287286 (current) | 2023-11-06 | cif/ Adding structures of 7247676 via cif-deposit CGI script. |
7247676.cif |
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