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Information card for entry 7245629
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| Coordinates | 7245629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Biotin-NHS |
|---|---|
| Chemical name | 2,5-dioxopyrrolidin-1-yl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate |
| Formula | C14 H19 N3 O5 S |
| Calculated formula | C14 H19 N3 O5 S |
| SMILES | S1[C@H]([C@H]2NC(=O)N[C@H]2C1)CCCCC(=O)ON1C(=O)CCC1=O |
| Title of publication | Bioorthogonal site-selective conjugation of fluorescent dyes to antibodies: method and potential applications |
| Authors of publication | Grossenbacher, Philipp; Essers, Maria C.; Moser, Joël; Singer, Simon A.; Häusler, Stephanie; Stieger, Bruno; Rougier, Jean-Sébastien; Lochner, Martin |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 44 |
| Pages of publication | 28306 - 28317 |
| a | 5.1667 ± 0.00004 Å |
| b | 7.62474 ± 0.00006 Å |
| c | 20.29901 ± 0.00017 Å |
| α | 90° |
| β | 91.9565 ± 0.0008° |
| γ | 90° |
| Cell volume | 799.208 ± 0.011 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278375 (current) | 2022-10-06 | cif/ Adding structures of 7245626, 7245627, 7245628, 7245629 via cif-deposit CGI script. |
7245629.cif |
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Users of the data should acknowledge the original authors of the
structural data.