Information card for entry 2001787

Structure parameters

• Formula: C19 H16 N4 O2
• Calculated formula: C19 H16 N4 O2
• SMILES: CN1[C@]23[C@]1(C=CC=C2)[C@H]1C=C[C@@H]3N2N1C(=O)N(C2=O)c1ccccc1
• Title of publication: Structures of Diels–Alder mono-adducts of 4-phenyl- or 4-methyl-1,2,4-triazolidine-3,5-dione with 11-substituted-1,6-methano[10]annulene
• Authors of publication: Ashkenazi, P.; Kaftory, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 731 - 735
• a: 26.027 ± 0.013 Å
• b: 10.155 ± 0.005 Å
• c: 6.147 ± 0.003 Å
• α: 96.99 ± 0.03°
• β: 93.58 ± 0.03°
• γ: 92.64 ± 0.03°
• Cell volume: 1607.1 ± 1.4 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: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No