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Information card for entry 4029183
Preview
Coordinates | 4029183.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (Boc-Ala-S-)2 |
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Formula | C16 H28 N2 O6 S2 |
Calculated formula | C16 H28 N2 O6 S2 |
SMILES | S(SC(=O)[C@@H](NC(=O)OC(C)(C)C)C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C |
Title of publication | Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis. |
Authors of publication | Mali, Sachitanand M.; Gopi, Hosahudya N. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 6 |
Pages of publication | 2377 - 2383 |
a | 10.322 ± 0.003 Å |
b | 11.312 ± 0.004 Å |
c | 18.663 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2179.1 ± 1.2 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 | 0.1518 |
Residual factor for significantly intense reflections | 0.0684 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029183.html
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