Information card for entry 7102010

Structure parameters

• Formula: C14 H13 N3
• Calculated formula: C14 H13 N3
• SMILES: c1ccc(C(c2ccc[nH]2)c2ccccn2)[nH]1
• Title of publication: Hydrogen bonding self-assemblies with 1-D linear, dimeric and hexagonal nanostructures of meso-pyridyl-substituted dipyrromethanes.
• Authors of publication: Maeda, Hiromitsu; Hasegawa, Masahiro; Ueda, Atsushi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2726 - 2728
• a: 9.1012 ± 0.0012 Å
• b: 9.7702 ± 0.0013 Å
• c: 13.9971 ± 0.0019 Å
• α: 90.305 ± 0.002°
• β: 105.415 ± 0.002°
• γ: 107.982 ± 0.002°
• Cell volume: 1136.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No