Information card for entry 2002039

Structure parameters

• Formula: C14 H25 N O5
• Calculated formula: C14 H25 N O5
• SMILES: OC[C@@H]1OC(O[C@H]1[C@H]1OC(C)(C)O[C@@H]2[C@H]1NCC2)(C)C
• Title of publication: Structure of 1,2,4-trideoxy-1,4-imino-3,5;6,7-di-<i>O</i>-isopropylidene-<small>L</small>-<i>glycero</i>-<small>D</small>-<i>gluco</i>-octitol: a key intermediate in the enantioselective synthesis of 8-epicastanospermine
• Authors of publication: Gallagher, T.; Giles, M. E.; Mahon, M. F.; Molloy, K. C.; Hadley, M. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 40 - 42
• a: 11.831 ± 0.002 Å
• b: 11.831 ± 0.002 Å
• c: 19.948 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2418.1 ± 1 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No