Information card for entry 4021286

Structure parameters

• Formula: C19 H15 B F4 N4 O6
• Calculated formula: C19 H15 B F4 N4 O6
• SMILES: [F-][B](F)(F)F.[o+]1c2cc3c(oc4N(C(=O)N(C(=O)c34)C)C)ccc2c2c1N(C)C(=O)N(C)C2=O
• Title of publication: Novel Synthesis and Oxidizing Ability of Tropylium Ions Annulated with Two 2,4-Dimethylfuro[2,3-d]pyrimidine-1(2H),3(4H)-diones
• Authors of publication: Shin-ichi Naya; Takeshi Tokunaka; Makoto Nitta
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4732 - 4740
• a: 13.6151 ± 0.0005 Å
• b: 8 ± 0.0003 Å
• c: 18.7774 ± 0.0007 Å
• α: 90°
• β: 110.548 ± 0.001°
• γ: 90°
• Cell volume: 1915.1 ± 0.1 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No