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Information card for entry 7241588
Preview
| Coordinates | 7241588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CBDA10coEA |
|---|---|
| Formula | C26 H32 O12 |
| Calculated formula | C26 H32 O12 |
| Title of publication | Crystal engineering construction of caffeic acid derivatives with potential applications in pharmaceuticals and degradable polymeric materials |
| Authors of publication | Wang, Zhihan; Flores, Quinton; Guo, Hongye; Trevizo, Raquel; Zhang, Xiaochan; Wang, Shihan |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 45 |
| Pages of publication | 7847 - 7857 |
| a | 5.3882 ± 0.0001 Å |
| b | 8.4135 ± 0.0002 Å |
| c | 14.8002 ± 0.0004 Å |
| α | 77.6 ± 0.002° |
| β | 80.086 ± 0.002° |
| γ | 88.273 ± 0.002° |
| Cell volume | 645.49 ± 0.03 Å3 |
| Cell temperature | 100 ± 0.13 K |
| Ambient diffraction temperature | 100 ± 0.13 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259320 (current) | 2020-11-29 | cif/ Adding structures of 7241586, 7241587, 7241588, 7241589 via cif-deposit CGI script. |
7241588.cif |
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Users of the data should acknowledge the original authors of the
structural data.