Information card for entry 2003912

Structure parameters

• Formula: C19 H15 F3 N4 O
• Calculated formula: C19 H15 F3 N4 O
• SMILES: FC(c1nnc2n1N=C(OCc1ccccc1)CC2c1ccccc1)(F)F
• Title of publication: Bicyclic [<i>b</i>]-Heteroannulated Pyridazine Derivatives. 3. Partially Hydrogenated Triazolo[4,3-<i>b</i>]pyridazines
• Authors of publication: Karolak-Wojciechowska, J.; Trzezwinska, H. B.; Lange, J.; Wieczorek, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1829 - 1832
• a: 15.397 ± 0.004 Å
• b: 9.696 ± 0.003 Å
• c: 12.14 ± 0.003 Å
• α: 90°
• β: 104.43 ± 0.02°
• γ: 90°
• Cell volume: 1755.2 ± 0.8 ų
• Cell temperature: 293 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
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 5.4
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No