Information card for entry 7100883

Structure parameters

• Formula: C18 H16 F N3 O3
• Calculated formula: C18 H16 F N3 O3
• Title of publication: Balancing supramolecular reagents for reliable formation of co-crystals
• Authors of publication: C. Aakeroy; John Desper; Benjamin M. T. Scott
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 4.3453 ± 0.0007 Å
• b: 10.8147 ± 0.0017 Å
• c: 34.003 ± 0.005 Å
• α: 90°
• β: 90.541 ± 0.002°
• γ: 90°
• Cell volume: 1597.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: Yes
• Has Fobs: No