Information card for entry 4516941

Structure parameters

• Formula: C14 H14 N4
• Calculated formula: C14 H14 N4
• Title of publication: Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.
• Authors of publication: Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 8911 - 8927
• a: 14.5736 ± 0.0003 Å
• b: 14.5736 ± 0.0003 Å
• c: 22.951 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4874.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c :2
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No