Information card for entry 2235709

Structure parameters

• Common name: L3
• Chemical name: 1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane
• Formula: C36 H32 N6 O2
• Calculated formula: C36 H32 N6 O2
• SMILES: C(CCOc1cc(nc(c1)c1ccccn1)c1ccccn1)CCCOc1cc(nc(c1)c1ccccn1)c1ccccn1
• Title of publication: 1,6-Bis[(2,2':6',2''-terpyridin-4'-yl)oxy]hexane
• Authors of publication: Nikolayenko, Varvara I.; Akerman, Matthew P.; Grimmer, Craig D.; Reddy, Desigan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2272 - o2273
• a: 15.139 ± 0.005 Å
• b: 11.428 ± 0.005 Å
• c: 16.76 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2899.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes