Information card for entry 2100920

Structure parameters

• Formula: C17 H17 N O6
• Calculated formula: C17 H17 N O6
• SMILES: O=C(N1[C@@H]2[C@@H]3O[C@H]([C@H]12)[C@@H]([C@H]3C(=O)OC)C(=O)OC)c1ccccc1.O=C(N1[C@H]2[C@H]3O[C@@H]([C@@H]12)[C@H]([C@@H]3C(=O)OC)C(=O)OC)c1ccccc1
• Title of publication: Structures of four <i>N</i>-benzoylaziridine and aziridinium <i>p</i>-toluenesulfonate derivatives grafted onto 7-oxabicyclo[2.2.1]heptane skeletons
• Authors of publication: Pinkerton, A. A.; Gallacher, A. C.; Radil, M.; Kunze, A.; Allemann, S.; Vogel, P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 328 - 334
• a: 5.362 ± 0.001 Å
• b: 24.558 ± 0.003 Å
• c: 11.793 ± 0.001 Å
• α: 90°
• β: 96.42 ± 0.01°
• γ: 90°
• Cell volume: 1543.2 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No