Information card for entry 1504042

Structure parameters

• Formula: C26 H25 N
• Calculated formula: C26 H25 N
• SMILES: c1(cc(cc2ccccc12)N(CC)CC)c1ccc(cc1)c1ccccc1
• Title of publication: One-pot synthesis of highly substituted aromatic amine derivatives via Pd-catalyzed aminobenzannulation reaction.
• Authors of publication: Gou, Fa-Rong; Huo, Peng-Fei; Bi, Hai-Peng; Guan, Zheng-Hui; Liang, Yong-Min
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 15
• Pages of publication: 3418 - 3421
• a: 10.543 ± 0.01 Å
• b: 11.806 ± 0.012 Å
• c: 16.085 ± 0.015 Å
• α: 90°
• β: 95.6 ± 0.03°
• γ: 90°
• Cell volume: 1993 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1953
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2369
• Weighted residual factors for all reflections included in the refinement: 0.2878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No