Information card for entry 7159344

Structure parameters

• Formula: C23 H21 N3
• Calculated formula: C23 H21 N3
• SMILES: N1(C(=NC(=NC1)c1ccccc1)c1ccccc1)c1cc(cc(c1)C)C
• Title of publication: Construction of 1,2-dihydro-1,3,5-triazines <i>via</i> reactions involving amidines.
• Authors of publication: Guo, Honghong; Lin, Jianying; Liu, Qiang; Li, Xing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 20
• Pages of publication: 4269 - 4275
• a: 9.5634 ± 0.0005 Å
• b: 33.8247 ± 0.0015 Å
• c: 12.595 ± 0.0007 Å
• α: 90°
• β: 111.385 ± 0.006°
• γ: 90°
• Cell volume: 3793.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No