Information card for entry 7102009

Structure parameters

• Formula: C15 H15 N3
• Calculated formula: C15 H15 N3
• SMILES: [nH]1cccc1C(c1[nH]ccc1)(c1ncccc1)C
• 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: 27.653 ± 0.008 Å
• b: 27.653 ± 0.008 Å
• c: 8.536 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5653 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No