Information card for entry 2012703

Structure parameters

• Chemical name: 2-Phenyl-5-p-tolyl-1,5,6,10b-tetrahydropyrazolo[1,5-c]quinazoline
• Formula: C23 H21 N3
• Calculated formula: C23 H21 N3
• SMILES: C1C(c2ccccc2)=NN2[C@H](c3ccc(C)cc3)Nc3ccccc3[C@@H]12.C1C(c2ccccc2)=NN2[C@@H](c3ccc(C)cc3)Nc3ccccc3[C@H]12
• Title of publication: The molecular and supramolecular structures of four 1,5,6,10b-tetrahydropyrazolo[1,5-<i>c</i>]quinazolines
• Authors of publication: Low, John Nicolson; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Torres, Harlen; Insuasty, Braulio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o305 - o310
• a: 8.5292 ± 0.0012 Å
• b: 10.7291 ± 0.0016 Å
• c: 11.0469 ± 0.0016 Å
• α: 109.417 ± 0.002°
• β: 91.555 ± 0.003°
• γ: 110.945 ± 0.003°
• Cell volume: 878.1 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes