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Information card for entry 1534352
Preview
Coordinates | 1534352.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Boc-L-Leu-L-Cys(Me)-OMe |
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Formula | C16 H30 N2 O5 S |
Calculated formula | C16 H30 N2 O5 S |
SMILES | S(C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(C)C)C(=O)OC)C |
Title of publication | A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water. |
Authors of publication | Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro |
Journal of publication | Soft matter |
Year of publication | 2015 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 238 - 245 |
a | 5.08911 ± 0.00007 Å |
b | 12.09583 ± 0.00013 Å |
c | 32.4406 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1996.95 ± 0.04 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0406 |
Residual factor for significantly intense reflections | 0.0391 |
Weighted residual factors for significantly intense reflections | 0.1077 |
Weighted residual factors for all reflections included in the refinement | 0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1534352.html
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