Information card for entry 4020636

Structure parameters

• Formula: C16 H17 F2 N3 O2 S
• Calculated formula: C16 H17 F2 N3 O2 S
• SMILES: S(=O)(=O)(c1c(F)c(F)nc2N(CCCN(c12)C)C)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: 13.1516 ± 0.0008 Å
• b: 9.8626 ± 0.0006 Å
• c: 13.2963 ± 0.0008 Å
• α: 90°
• β: 114.265 ± 0.002°
• γ: 90°
• Cell volume: 1572.28 ± 0.17 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