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Information card for entry 7154150
Preview
| Coordinates | 7154150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | LCLT517B |
|---|---|
| Formula | C27 H56 O6 Si3 |
| Calculated formula | C27 H56 O6 Si3 |
| SMILES | [C@@]12([C@H]([C@@H](C[C@](C1)(O[Si](C)(C)C(C)(C)C)C(=O)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC2 |
| Title of publication | Irreversible covalent modification of type I dehydroquinase with a stable Schiff base. |
| Authors of publication | Tizón, Lorena; Maneiro, María; Peón, Antonio; Otero, José M; Lence, Emilio; Poza, Sergio; van Raaij, Mark J.; Thompson, Paul; Hawkins, Alastair R.; González-Bello, Concepción |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2015 |
| Journal volume | 13 |
| Journal issue | 3 |
| Pages of publication | 706 - 716 |
| a | 24.9085 ± 0.0009 Å |
| b | 7.8916 ± 0.0003 Å |
| c | 16.9244 ± 0.0007 Å |
| α | 90° |
| β | 98.392 ± 0.002° |
| γ | 90° |
| Cell volume | 3291.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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 |
|---|---|---|---|
| 180327 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/41. |
7154150.cif |
| 133508 | 2015-03-06 | cif/ Updating files of 7154150 Original log message: Adding full bibliography for 7154150.cif. |
7154150.cif |
| 125582 | 2014-10-21 | cif/ Adding structures of 7154150 via cif-deposit CGI script. |
7154150.cif |
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Users of the data should acknowledge the original authors of the
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