Information card for entry 4020090

Structure parameters

• Chemical name: 6,11-dicyclopropylpyrido[2,3-e]Bis[1,2,4]triazolo[4,3-a:3',4'-c]pyrazine
• Formula: C15 H13 N7
• Calculated formula: C15 H13 N7
• Authors of publication: Unciti-Broceta, A.; Pineda-de-las-Infantas, M.J.; Díaz-Mochón, J.J.; Romagnoli, R.; Baraldi, P.G.; Gallo, M.A.; Espinosa, A.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 2878 - 2880
• a: 9.2462 ± 0.0006 Å
• b: 8.8456 ± 0.0006 Å
• c: 32.222 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2635.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No