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Information card for entry 7242971
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| Coordinates | 7242971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Amantadine ferulate isopropanol solvate |
|---|---|
| Chemical name | 1-Adamantylammonium 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid propan-2-ol |
| Formula | C21.5 H31 N O4.5 |
| Calculated formula | C21.5 H31 N O4.5 |
| Title of publication | Molecular adduct of amantadine ferulate presents a pathway for slowing in vitro/vivo releases and raising synergistic antiviral effects via dual optimization salification strategy |
| Authors of publication | Niu, Yuan-Yuan; Wang, Ling-Yang; Yu, Yue-Ming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 24 |
| Pages of publication | 4389 - 4401 |
| a | 10.7505 ± 0.0004 Å |
| b | 10.132 ± 0.0004 Å |
| c | 18.7022 ± 0.0008 Å |
| α | 90° |
| β | 103.122 ± 0.004° |
| γ | 90° |
| Cell volume | 1983.93 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267098 (current) | 2021-07-05 | cif/ Updating files of 7242971 Original log message: Adding full bibliography for 7242971.cif. |
7242971.cif |
| 266189 | 2021-06-06 | cif/ Adding structures of 7242971 via cif-deposit CGI script. |
7242971.cif |
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Users of the data should acknowledge the original authors of the
structural data.