Information card for entry 7102008

Structure parameters

• Formula: C15 H15 N3
• Calculated formula: C15 H15 N3
• SMILES: [nH]1cccc1C(c1[nH]ccc1)(C)c1cnccc1
• 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: 27.092 ± 0.007 Å
• b: 14.512 ± 0.006 Å
• c: 6.141 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2414.3 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No