Information card for entry 2000694

Structure parameters

• Formula: C20 H19 N3 O4
• Calculated formula: C20 H19 N3 O4
• SMILES: O=C1N2N([C@H]3C=C[C@@H]2[C@@]24[C@@]3([C@@](O)(C2=C)C)COC4)C(=O)N1c1ccccc1.O=C1N2N([C@@H]3C=C[C@H]2[C@]24[C@]3([C@](O)(C2=C)C)COC4)C(=O)N1c1ccccc1
• Title of publication: Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione
• Authors of publication: Agmon, I.; Ashkenazi, P.; Kaftory, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1479 - 1484
• a: 13.474 ± 0.007 Å
• b: 11.422 ± 0.006 Å
• c: 11.534 ± 0.006 Å
• α: 90°
• β: 97.73 ± 0.02°
• γ: 90°
• Cell volume: 1759 ± 1.6 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No