Information card for entry 4020630

Structure parameters

• Formula: C13 H11 F2 N3 O2 S
• Calculated formula: C13 H11 F2 N3 O2 S
• SMILES: S(=O)(=O)(c1c(F)c(F)nc2NCCNc12)c1ccccc1
• Title of publication: Polyfunctional Tetrahydropyrido[2,3-b]pyrazine Scaffolds from 4-Phenylsulfonyl Tetrafluoropyridine
• Authors of publication: Aurelie Baron; Graham Sandford; Rachel Slater; Dmitry S. Yufit; Judith A. K. Howard; Antonio Vong
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9377 - 9381
• a: 14.4972 ± 0.0004 Å
• b: 8.1056 ± 0.0002 Å
• c: 10.8247 ± 0.0003 Å
• α: 90°
• β: 95.142 ± 0.001°
• γ: 90°
• Cell volume: 1266.88 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No