Information card for entry 1505677

Structure parameters

• Formula: C14 H12 N2
• Calculated formula: C14 H12 N2
• SMILES: n1n2cc(C)ccc2cc1c1ccccc1
• Title of publication: Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines
• Authors of publication: Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 344
• a: 5.888 ± 0.0012 Å
• b: 10.699 ± 0.003 Å
• c: 17.013 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1071.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No