Information card for entry 7154802

Structure parameters

• Chemical name: (R)-2-((tert-butyldimethylsilyl)oxy)-1-((4R,5S)-5-((4S,6S)-2',2'-dimethyl-7-oxa-1-azaspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxan]-6-yl)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
• Formula: C23 H43 N O7 Si
• Calculated formula: C23 H43 N O7 Si
• SMILES: [Si](OC[C@@H](O)[C@H]1OC(O[C@H]1[C@H]1N2O[C@@H](C1)CC12COC(OC1)(C)C)(C)C)(C(C)(C)C)(C)C
• Title of publication: [1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.
• Authors of publication: Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 470 - 482
• a: 7.96665 ± 0.00007 Å
• b: 10.06647 ± 0.0001 Å
• c: 31.833 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2552.88 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0286
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No