Information card for entry 7717999

Structure parameters

• Formula: C21 H19 N3
• Calculated formula: C21 H19 N3
• Title of publication: Synthesis of 2,3-dihydroquinazolinimines and 1,3-diiminoisoindolines catalyzed by rare earth metal alkyl complexes through tandem addition/cyclization of nitriles with amines.
• Authors of publication: Guo, Dianjun; He, Jinqiang; Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 4484 - 4492
• a: 10.4897 ± 0.0015 Å
• b: 14.543 ± 0.002 Å
• c: 11.5681 ± 0.0014 Å
• α: 90°
• β: 105.772 ± 0.004°
• γ: 90°
• Cell volume: 1698.3 ± 0.4 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1157
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No