Information card for entry 7116065

Structure parameters

• Common name: (bpep)2(res)2
• Chemical name: 1,3-bis(trans-4-pyridylethenyl)pyridine resorcinol tetrahydrofuran solvate
• Formula: C54 H50 N6 O5
• Calculated formula: C54 H50 N6 O5
• Title of publication: In situ Raman monitoring of [2+2] cycloaddition of pyridine substituted olefins induced by visible laser
• Authors of publication: Dengtai Chen; Xijiang Han; Wen Jin; Yunchen Du; Ping Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15631
• a: 13.274 ± 0.005 Å
• b: 13.86 ± 0.005 Å
• c: 15.867 ± 0.006 Å
• α: 66.711 ± 0.003°
• β: 69.574 ± 0.004°
• γ: 66.077 ± 0.003°
• Cell volume: 2388.3 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1743
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No