Information card for entry 4114742

Structure parameters

• Formula: C19 H19 N3
• Calculated formula: C19 H19 N3
• SMILES: N(c1nc(NCc2ccccc2)ccc1)Cc1ccccc1
• Title of publication: Self-Complementarity of Oligo-2-aminopyridines: A New Class of Hydrogen-Bonded Ladders
• Authors of publication: Man-kit Leung; Ashis B. Mandal; Chih-Chieh Wang; Gene-Hsiang Lee; Shie-Ming Peng; Hsing-Ling Cheng; Guor-Rong Her; Ito Chao; Hsiu-Feng Lu; Ying-Chieh Sun; Mei-Ying Shiao; Pi-Tai Chou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 4287 - 4297
• a: 12.9834 ± 0.0005 Å
• b: 5.6602 ± 0.0002 Å
• c: 21.9238 ± 0.0007 Å
• α: 90°
• β: 100.692 ± 0.001°
• γ: 90°
• Cell volume: 1583.18 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections: 0.127
• Weighted residual factors for significantly intense reflections: 0.1087
• Goodness-of-fit parameter for all reflections: 1.109
• Goodness-of-fit parameter for significantly intense reflections: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No