Information card for entry 2218932

Structure parameters

• Common name: Ethyl 1-<i>O</i>-tert-butyldimethylsilyl-2,3-<i>O</i>-isopropylidene- 5-[(2'<i>S</i>)-tetrahydropyran-2-yloxy]-D-<i>glycero</i>- α-D-<i>manno</i>-heptofuronate
• Chemical name: (2<i>S</i>,3<i>R</i>)-ethyl 3-[(3a<i>S</i>,4<i>R</i>,6<i>S</i>,6a<i>S</i>)-6-<i>tert- </i>butyldimethylsilyloxy-2,2-dimethylperhydrofuro[3,4-<i>d</i>][1,3]dioxol- 4-yl]-2-nitro-3-[(<i>S</i>)-tetrahydro-2<i>H</i>-pyran-2-yloxy]propanoate
• Formula: C23 H41 N O10 Si
• Calculated formula: C23 H41 N O10 Si
• SMILES: O1[C@@H]([C@@H]2[C@H]([C@H]1[C@H](O[C@@H]1CCCCO1)[C@H](N(=O)=O)C(=O)OCC)OC(O2)(C)C)O[Si](C)(C)C(C)(C)C
• Title of publication: Ethyl 1-<i>O</i>-<i>tert</i>-butyldimethylsilyl-2,3-<i>O</i>-isopropylidene-5-[(2'<i>S</i>)-tetrahydropyran-2-yloxy]-<small>D</small>-<i>glycero</i>-α-<small>D</small>-<i>manno</i>-heptofuronate
• Authors of publication: Soengas, Raquel G.; Valencia, Laura; Estévez, Juan C.; Estévez, Ramón J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1478
• a: 15.593 ± 0.003 Å
• b: 9.563 ± 0.004 Å
• c: 19.69 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2936.1 ± 1.4 ų
• 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: 0.1358
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.2083
• Weighted residual factors for all reflections included in the refinement: 0.2639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes