Information card for entry 4031153

Structure parameters

• Formula: C19 H15 N3
• Calculated formula: C19 H15 N3
• SMILES: n1c(c2ccccc2)cc(n2nccc12)c1ccc(cc1)C
• Title of publication: Carbon-Carbon Bond Cleavage Reaction: Synthesis of Multisubstituted Pyrazolo[1,5-a]pyrimidines.
• Authors of publication: Saikia, Pallabi; Gogoi, Sanjib; Boruah, Romesh C.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 13
• Pages of publication: 6885 - 6889
• a: 7.494 ± 0.009 Å
• b: 11.707 ± 0.015 Å
• c: 34.23 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3003 ± 6 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 6.395
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No