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Information card for entry 4022245
Preview
Coordinates | 4022245.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H27 F2 N2 O3.5 S |
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Calculated formula | C13 H27 F2 N2 O3.5 S |
SMILES | S(=O)(N[C@H](C1CCCCC1)C(F)(F)C(=O)N)C(C)(C)C.O.O |
Title of publication | Asymmetric Synthesis of α,α-Difluoro-β-amino Acid Derivatives from Enantiomerically Pure N-tert-Butylsulfinimines |
Authors of publication | Donnette D. Staas; Kelly L. Savage; Carl F. Homnick; Nancy N. Tsou; Richard G. Ball |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2002 |
Journal volume | 67 |
Pages of publication | 8276 - 8279 |
a | 6.72 ± 0.002 Å |
b | 28.366 ± 0.009 Å |
c | 9.655 ± 0.003 Å |
α | 90° |
β | 108.894 ± 0.005° |
γ | 90° |
Cell volume | 1741 ± 2 Å3 |
Cell temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.105 |
Goodness-of-fit parameter for significantly intense reflections | 0.969 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
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/4022245.html
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