Information card for entry 7050833

Structure parameters

• Chemical name: 4-amino-2,6-bis(pyrazol-1-ylmethyl)-5-(pyrazol-1-yl)pyrimidine
• Formula: C30 H30 N18
• Calculated formula: C30 H30 N18
• Title of publication: Solvent-free synthesis and structural characterization of azolyl-substituted pyrimidines
• Authors of publication: de la Hoz, A.; Blasco, H.; Diaz-Ortiz, A.; Elguero, J.; Foces-Foces, C.; Moreno, A.; Sanchez-Migallon, A.; Valiente, G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 10.8607 ± 0.0013 Å
• b: 25.535 ± 0.004 Å
• c: 11.3399 ± 0.0012 Å
• α: 90°
• β: 89.301 ± 0.011°
• γ: 90°
• Cell volume: 3144.6 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.058
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No