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Information card for entry 4519402
Preview
| Coordinates | 4519402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H45 N O14 |
|---|---|
| Calculated formula | C26 H45 N O14 |
| Title of publication | Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations. |
| Authors of publication | Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua |
| Journal of publication | ACS omega |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 10 |
| Pages of publication | 8906 - 8918 |
| a | 9.41164 ± 0.00019 Å |
| b | 7.95651 ± 0.00014 Å |
| c | 20.651 ± 0.0004 Å |
| α | 90° |
| β | 100.299 ± 0.0017° |
| γ | 90° |
| Cell volume | 1521.51 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0558 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1541 |
| Weighted residual factors for all reflections included in the refinement | 0.1574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.