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Information card for entry 7250045
Preview
| Coordinates | 7250045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H17 N O5 |
|---|---|
| Calculated formula | C12 H17 N O5 |
| Title of publication | Betaine–salicylic acid cocrystal for enhanced skincare and acne treatment |
| Authors of publication | Wang, Zhenyuan; Wang, Mi; Tao, Qingsheng; Li, Yufei; Wang, Hao; Zhang, Mei; Liu, Xueli; Zhang, Jiaheng |
| Journal of publication | RSC Medicinal Chemistry |
| Year of publication | 2025 |
| a | 10.2107 ± 0.0008 Å |
| b | 10.7746 ± 0.0008 Å |
| c | 22.5314 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2478.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297915 (current) | 2025-02-28 | cif/ Adding structures of 7250045 via cif-deposit CGI script. |
7250045.cif |
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Users of the data should acknowledge the original authors of the
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