Information card for entry 4068688

Structure parameters

• Formula: C19 H23 N3
• Calculated formula: C19 H22 N3
• SMILES: C(=N\c1ccccc1)(/NC1=CCCCC1)Nc1ccccc1
• Title of publication: Alkyl Aluminum-Catalyzed Addition of Amines to Carbodiimides: A Highly Efficient Route to Substituted Guanidines
• Authors of publication: Zhang, Wen-Xiong; Li, Dongzhen; Wang, Zitao; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 882
• a: 11.7513 ± 0.0018 Å
• b: 16.702 ± 0.003 Å
• c: 17.037 ± 0.003 Å
• α: 90°
• β: 92.995 ± 0.003°
• γ: 90°
• Cell volume: 3339.3 ± 1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.1817
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No