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Information card for entry 7103267
Preview
Coordinates | 7103267.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H19 N O7 |
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Calculated formula | C15 H19 N O7 |
SMILES | [C@@H]1([C@H](O[C@H]2[C@H]([C@@H]1O)O[C@@H](OC2)c1ccccc1)OCC)N(=O)=O |
Title of publication | Stereocontrolled synthesis of fully functionalized D-glucosamine monosaccharides via a domino nitro-Michael/Henry reaction. |
Authors of publication | Adibekian, Alexander; Timmer, Mattie S M; Stallforth, Pierre; van Rijn, Jimmy; Werz, Daniel B; Seeberger, Peter H |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 30 |
Pages of publication | 3549 - 3551 |
a | 26.1806 ± 0.0004 Å |
b | 4.7874 ± 0.0009 Å |
c | 12.9169 ± 0.0002 Å |
α | 90° |
β | 106.251 ± 0.006° |
γ | 90° |
Cell volume | 1554.3 ± 0.3 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.113 |
Weighted residual factors for all reflections included in the refinement | 0.1184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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