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Information card for entry 7123601
Preview
| Coordinates | 7123601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H24 O4 |
|---|---|
| Calculated formula | C21 H24 O4 |
| Title of publication | Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues. |
| Authors of publication | Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G. |
| Journal of publication | MedChemComm |
| Year of publication | 2019 |
| Journal volume | 10 |
| Journal issue | 8 |
| Pages of publication | 1445 - 1456 |
| a | 7.08 ± 0.0002 Å |
| b | 8.7733 ± 0.0003 Å |
| c | 28.3213 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1759.18 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0863 |
| 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 |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7123601.cif |
| 224643 | 2019-11-08 | cif/ Updating files of 7123599, 7123600, 7123601 Original log message: Adding full bibliography for 7123599--7123601.cif. |
7123601.cif |
| 215702 | 2019-06-05 | cif/ Adding structures of 7123599, 7123600, 7123601 via cif-deposit CGI script. |
7123601.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.