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Information card for entry 1541913
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1541913.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1-((4S,5R)-5-((tert-butyldimethylsilyl)oxy)-4-ethynyl-2,2-dioxido- 1,2,3-oxathiazepan-4-yl)ethanone |
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Formula | C14 H25 N O5 S Si |
Calculated formula | C14 H25 N O5 S Si |
SMILES | S1(=O)(=O)N[C@@](C#C)([C@H](O[Si](C(C)(C)C)(C)C)CCO1)C(=O)C.S1(=O)(=O)N[C@](C#C)([C@@H](O[Si](C(C)(C)C)(C)C)CCO1)C(=O)C |
Title of publication | Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy. |
Authors of publication | Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M. |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 2 |
Pages of publication | 284 - 287 |
a | 16.204 ± 0.003 Å |
b | 10.0147 ± 0.0017 Å |
c | 11.186 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1815.2 ± 0.6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0333 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0919 |
Weighted residual factors for all reflections included in the refinement | 0.0921 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Diffraction radiation X-ray symbol | K-L~3~ |
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/1541913.html
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Users of the data should acknowledge the original authors of the
structural data.