Information card for entry 2000691

Structure parameters

• Formula: C18 H15 N3 O4
• Calculated formula: C18 H15 N3 O4
• SMILES: O=C1N2N(C(=O)N1c1ccccc1)[C@H]1C=C[C@@H]2[C@]23[C@]1(COC2)[C@H]1[C@@H]3O1
• 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: 24.104 ± 0.012 Å
• b: 9.774 ± 0.005 Å
• c: 6.463 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1522.6 ± 1.3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No