Information card for entry 4021285

Structure parameters

• Formula: C19 H15 B F4 N4 O6
• Calculated formula: C19 H15 B F4 N4 O6
• SMILES: [B](F)(F)(F)[F-].o1c2cc3[o+]c4N(C(=O)N(C(=O)c4c3ccc2c2c1N(C)C(=O)N(C)C2=O)C)C
• 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: 10.449 ± 0.007 Å
• b: 12.835 ± 0.009 Å
• c: 15.053 ± 0.007 Å
• α: 90°
• β: 106.81 ± 0.05°
• γ: 90°
• Cell volume: 1932.6 ± 0.2 ų
• Cell temperature: 123.1 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