Information card for entry 2232859

Structure parameters

• Chemical name: 1,4-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]butane
• Formula: C34 H28 N6 O2
• Calculated formula: C34 H28 N6 O2
• SMILES: C(COc1cc(nc(c1)c1ccccn1)c1ccccn1)CCOc1cc(nc(c1)c1ccccn1)c1ccccn1
• Title of publication: 1,4-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]butane
• Authors of publication: Akerman, Matthew P.; Grimmer, Craig D.; Nikolayenko, Varvara I.; Reddy, Desigan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3478 - o3479
• a: 6.3678 ± 0.0002 Å
• b: 10.5088 ± 0.0004 Å
• c: 10.9216 ± 0.0003 Å
• α: 72.58 ± 0.003°
• β: 78.561 ± 0.003°
• γ: 77.438 ± 0.003°
• Cell volume: 673.64 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes