Information card for entry 2016265

Structure parameters

• Chemical name: N,N,N',N'-tetrakis(2-pyridylmethyl)butane-1,4-diamine
• Formula: C28 H32 N6
• Calculated formula: C28 H32 N6
• SMILES: C(CN(Cc1ccccn1)Cc1ccccn1)CCN(Cc1ccccn1)Cc1ccccn1
• Title of publication: One-dimensional C—H···N hydrogen-bonded polymers in flexible tetrapyridyl systems
• Authors of publication: Mambanda, Allen; Jaganyi, Deogratius; Munro, Orde Q.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o676 - o680
• a: 6.1942 ± 0.0003 Å
• b: 9.2425 ± 0.0003 Å
• c: 11.6798 ± 0.0005 Å
• α: 101.756 ± 0.003°
• β: 96.953 ± 0.004°
• γ: 106.289 ± 0.004°
• Cell volume: 616.96 ± 0.05 ų
• Cell temperature: 100 ± 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 significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes