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Information card for entry 7155081
Preview
Coordinates | 7155081.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H13 N O6 S |
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Calculated formula | C9 H13 N O6 S |
SMILES | C1[C@@H](C(=O)OC)N2C(=O)[C@@H]([C@@H]([C@@H]([C@@H]2S1)O)O)O |
Title of publication | Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation. |
Authors of publication | Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2016 |
Journal volume | 14 |
Journal issue | 22 |
Pages of publication | 5032 - 5048 |
a | 5.5868 ± 0.0004 Å |
b | 6.1938 ± 0.0004 Å |
c | 31.33 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1084.13 ± 0.13 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 | 0.0306 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for significantly intense reflections | 0.0595 |
Weighted residual factors for all reflections included in the refinement | 0.061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7155081.html
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Users of the data should acknowledge the original authors of the
structural data.