Information card for entry 4020465

Structure parameters

• Formula: C11 H15 F2 N3 O
• Calculated formula: C11 H15 F2 N3 O
• SMILES: Fc1c(OCC)nc(F)c2N(CCN(c12)C)C
• Title of publication: Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine
• Authors of publication: Graham Sandford; Rachel Slater; Dmitrii 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: 7208 - 7216
• a: 8.7228 ± 0.0003 Å
• b: 18.3386 ± 0.0007 Å
• c: 7.2367 ± 0.0003 Å
• α: 90°
• β: 99.587 ± 0.002°
• γ: 90°
• Cell volume: 1141.44 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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