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Information card for entry 2312763
Preview
| Coordinates | 2312763.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | biotin |
|---|---|
| Chemical name | 5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-Oxohexahydro-1<i>H</i>-\ thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoic acid |
| Formula | C10 H16 N2 O3 S |
| Calculated formula | C10 H16 N2 O3 S |
| Title of publication | Fast event-based electron counting for small-molecule structure determination by MicroED. |
| Authors of publication | Vlahakis, Niko; Qu, Songrong; Richards, Logan S.; Moraes, Lygia Silva de; Cascio, Duilio; Nelson, Hosea M.; Rodriguez, Jose A. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 3 |
| 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 | 0.1856 |
| Residual factor for significantly intense reflections | 0.1586 |
| Weighted residual factors for significantly intense reflections | 0.3832 |
| Weighted residual factors for all reflections included in the refinement | 0.4094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.325 |
| Diffraction radiation wavelength | 0.0251 Å |
| Diffraction radiation type | electron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297834 (current) | 2025-02-22 | cif/ Adding structures of 2312763, 2312764 via cif-deposit CGI script. |
2312763.cif |
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Users of the data should acknowledge the original authors of the
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