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Information card for entry 1573873
Preview
| Coordinates | 1573873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Biotin |
|---|---|
| Formula | C10 H16 N2 O3 S |
| Calculated formula | C10 H16 N2 O3 S |
| Title of publication | Accounting for electron-beam-induced warping of molecular nanocrystals in MicroED structure determination. |
| Authors of publication | Vlahakis, Niko; Clauss, Arden; Rodriguez, Jose A. |
| Journal of publication | IUCrJ |
| Year of publication | 2025 |
| Journal volume | 12 |
| Journal issue | 2 |
| a | 5.17 ± 0.002 Å |
| b | 10.11 ± 0.0019 Å |
| c | 20.71 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1082.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1322 |
| Residual factor for significantly intense reflections | 0.1282 |
| Weighted residual factors for significantly intense reflections | 0.3245 |
| Weighted residual factors for all reflections included in the refinement | 0.3269 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
| Diffraction radiation wavelength | 0.0251 Å |
| Diffraction radiation type | Electron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297679 (current) | 2025-02-11 | cif/ Adding structures of 1573873, 1573874, 1573875, 1573876, 1573877 via cif-deposit CGI script. |
1573873.cif |
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Users of the data should acknowledge the original authors of the
structural data.