Information card for entry 2100923

Structure parameters

• Formula: C16 H14 N2 O4
• Calculated formula: C16 H14 N2 O4
• SMILES: O1[C@H]2[C@H]3N([C@H]3[C@@H]1C[C@@]2(OC(=O)C)C#N)C(=O)c1ccccc1.O1[C@@H]2[C@@H]3N([C@@H]3[C@H]1C[C@]2(OC(=O)C)C#N)C(=O)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: 5.654 ± 0.001 Å
• b: 8.088 ± 0.003 Å
• c: 16.223 ± 0.007 Å
• α: 103.78 ± 0.03°
• β: 90.35 ± 0.03°
• γ: 98.29 ± 0.02°
• Cell volume: 712.4 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No